data_2ly4_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 2ly4 _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 ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 CA--C 1.53 0.3 0 N-CA-C 111.516 -0.225 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -47.84 -49.73 28.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.74 -176.99 17.51 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.443 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -106.15 22.41 15.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.417 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 43.7 mtm -51.46 145.3 8.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.446 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.33 167.49 12.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.554 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.694 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 22.1 p -54.67 -31.18 57.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.02 0.438 . . . . 0.0 111.429 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -48.91 71.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.978 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' B' ' 45' ' ' LEU . . . -74.06 -30.23 62.29 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.57 -32.59 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 57.4 t80 -58.41 -50.97 71.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.258 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.44 -43.1 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -58.63 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.748 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -66.66 -33.31 75.37 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.045 0.216 . . . . 0.0 111.37 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.5 t -75.97 -45.87 32.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.624 0.25 . . . . 0.0 110.999 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.805 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -65.74 -31.34 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.805 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 28.2 tt0 -77.61 -45.22 25.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.831 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.53 ' HG3' ' HE2' ' A' ' 29' ' ' LYS . 3.4 tp10 -54.51 -41.5 69.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -66.98 -35.3 79.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.215 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 8.1 tmtm? -78.68 -28.17 45.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.873 0.368 . . . . 0.0 110.293 -175.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.51 ' HD2' ' HG2' ' A' ' 24' ' ' GLU . 42.3 mtpt -70.94 -44.36 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 51.0 mttm -69.47 -35.89 76.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -123.0 88.77 50.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.96 -14.04 40.04 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.819 2.346 . . . . 0.0 111.103 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -85.27 -10.96 55.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.615 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.19 159.72 17.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.937 0.875 . . . . 0.0 112.718 -171.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 t -135.64 -164.01 1.48 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 170.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.88 167.59 25.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 13.3 m120 -93.9 120.92 34.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -52.96 -55.6 22.26 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.555 0.534 . . . . 0.0 112.186 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.2 m -63.59 -39.61 94.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.643 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 67.0 mm-40 -65.1 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.401 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.07 -41.5 92.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.545 -171.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -66.87 -33.78 76.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.644 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -72.24 -45.14 61.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.643 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 49.1 mttm -58.26 -45.45 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.139 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.81 -41.67 95.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.158 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.67 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 41.6 t -54.74 -56.42 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.2 -42.33 93.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.104 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -65.68 -43.48 89.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.072 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 51' ' ' MET . 17.0 t-105 -56.47 -50.5 71.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.25 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.67 ' HG3' ' O ' ' A' ' 45' ' ' SER . 55.8 mttm -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.862 -174.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -84.24 -0.21 51.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.429 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 51.8 mtm -83.09 171.77 13.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.876 0.37 . . . . 0.0 111.158 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -90.9 166.58 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.246 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -55.81 -46.31 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.188 0.518 . . . . 0.0 110.737 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 29.2 mt-10 -73.51 -45.16 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.348 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -61.68 -42.72 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.838 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.57 75.61 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.25 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 36.4 ttpt -61.47 -48.37 81.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.257 175.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 93.2 m-85 -67.32 -35.71 79.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.694 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 7.4 tp10 -61.95 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.837 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -62.71 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.818 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.11 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.463 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.44 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.956 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.837 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 9.7 mtmp? -60.85 -39.43 89.12 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 110.647 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.88 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.29 -35.35 58.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.48 -46.12 84.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.844 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.82 82.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.362 . . . . 0.0 111.023 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.9 ttm105 -66.09 -37.45 85.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.95 -47.41 86.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.389 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.646 179.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.544 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 98.1 mt-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.499 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -104.56 -25.4 12.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.912 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 99.7 m-85 -65.79 -31.61 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.4 t -81.97 -3.18 53.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.5 -18.12 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 76.6 mt -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.666 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -82.69 -11.26 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.722 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -82.48 25.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.127 0.489 . . . . 0.0 111.719 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -88.04 7.55 30.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.501 0.667 . . . . 0.0 109.557 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.75 158.73 80.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.624 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -66.33 95.76 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 121.808 1.672 . . . . 0.0 111.536 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.636 HD21 ' SD ' ' B' ' 44' ' ' MET . 1.3 tt . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.636 ' SD ' HD21 ' B' ' 43' ' ' LEU . 3.4 mpp? -99.6 -71.34 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.953 -175.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.831 ' HB3' HG23 ' B' ' 50' ' ' ILE . 41.9 mt -94.53 99.0 11.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.857 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.481 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 8.9 t -76.72 133.98 69.59 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.907 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 36.7 Cg_exo -57.24 -36.18 99.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.644 2.896 . . . . 0.0 114.255 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.78 -49.34 48.83 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -93.09 -41.07 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.831 HG23 ' HB3' ' B' ' 45' ' ' LEU . 45.4 pt -67.32 -32.4 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -166.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.435 ' N ' HG13 ' B' ' 50' ' ' ILE . 31.7 mt-10 -58.24 -17.98 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -167.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.76 -37.64 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.865 0.364 . . . . 0.0 111.02 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -123.07 -29.13 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.511 ' HB2' ' HB ' ' B' ' 50' ' ' ILE . 8.2 t80 . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.454 -0.822 0 N-CA-C 110.387 -0.659 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.695 ' HD3' HE22 ' A' ' 20' ' ' GLN . 1.5 ptp180 -65.41 -18.47 65.34 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.855 0.36 . . . . 0.0 110.981 -176.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.27 -168.34 20.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.515 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -108.67 26.16 10.87 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.416 ' HB3' ' HB1' ' A' ' 16' ' ' ALA . 24.1 mtm -44.59 141.65 1.93 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.844 -177.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -76.41 179.9 5.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.585 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 59' ' ' PHE . 13.1 m -57.92 -25.86 61.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.145 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -61.64 -54.46 42.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.314 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -67.49 -32.38 73.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 1.4 m-85 -64.76 -36.38 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' THR . 60.1 t80 -54.71 -54.48 41.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 110.621 175.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.47 -42.94 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.695 HE22 ' HD3' ' A' ' 9' ' ' ARG . 25.7 tt0 -64.43 -47.69 78.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.811 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.491 HG21 ' HE1' ' A' ' 59' ' ' PHE . 12.6 t -58.23 -35.56 71.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 p -87.88 -36.68 17.04 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.412 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.639 HH21 ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.64 -42.16 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.122 0.487 . . . . 0.0 110.942 -179.037 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 tp10 -74.88 -45.5 42.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.196 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.543 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 9.6 tp10 -59.97 -28.97 68.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.461 0.648 . . . . 0.0 110.241 176.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -66.0 -40.76 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.286 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HD3' HH21 ' A' ' 23' ' ' ARG . 9.9 mtpm? -82.71 -19.98 36.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.006 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HD3' ' HA ' ' A' ' 25' ' ' GLU . 29.3 mtpp -64.71 -54.29 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.006 0.431 . . . . 0.0 110.003 173.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -77.93 -32.93 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.733 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.488 ' O ' ' HA ' ' A' ' 27' ' ' LYS . 88.6 m-70 -125.99 90.83 49.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.668 0.271 . . . . 0.0 110.49 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.38 -12.75 32.26 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 123.032 2.488 . . . . 0.0 111.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.78 7.1 47.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.161 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.59 89.64 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.163 0.506 . . . . 0.0 112.209 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -84.77 135.05 34.28 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.99 152.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.635 0.255 . . . . 0.0 110.54 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.57 132.15 34.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.31 0.381 . . . . 0.0 111.542 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 p -66.62 -52.49 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.143 0.497 . . . . 0.0 110.722 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.4 -60.13 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.659 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -68.53 -52.44 32.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.046 -169.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -67.38 -36.65 81.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.572 -174.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.04 -48.36 80.61 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.079 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 18.3 ptpt -67.64 -32.88 73.88 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.495 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.74 -40.52 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.644 0.259 . . . . 0.0 110.4 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.659 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 29.2 t -55.25 -52.29 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.865 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.75 -41.0 97.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.117 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 94.5 mtt180 -63.32 -46.25 87.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.281 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -59.16 -46.45 88.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.709 0.29 . . . . 0.0 111.317 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 45' ' ' SER . 42.0 mttm -69.5 -18.86 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -109.99 22.41 15.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.424 ' HE2' ' HE2' ' A' ' 59' ' ' PHE . 46.5 ttp -108.15 151.75 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.12 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -68.52 159.5 31.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.058 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -72.15 -24.22 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.54 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.1 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 37.1 mm-40 -67.66 -38.34 83.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.083 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 63.9 mttm -59.46 -43.35 93.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.02 -30.95 79.34 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.972 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 29.3 ttpt -62.33 -44.8 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 0.0 110.388 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.538 ' HA ' ' HE1' ' A' ' 62' ' ' MET . 61.6 m-85 -70.04 -20.66 63.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.642 ' HG2' ' HE2' ' A' ' 64' ' ' LYS . 39.7 tt0 -71.19 -38.32 72.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.183 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.32 -47.44 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.236 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.538 ' HE1' ' HA ' ' A' ' 59' ' ' PHE . 23.0 ptp -63.63 -31.45 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.56 91.48 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.302 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.642 ' HE2' ' HG2' ' A' ' 60' ' ' GLU . 66.3 mttm -67.27 -37.53 83.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.99 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.585 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 2.6 m-20 -75.38 -17.57 60.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.379 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.07 -41.09 78.01 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.8 -36.7 84.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 174.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 66' ' ' ASP . 36.3 ttm180 -65.65 -37.15 85.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.391 175.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.37 -48.59 79.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.297 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.434 178.356 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' B' ' 19' ' ' PHE . 95.9 mt-30 . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.86 -68.8 0.16 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.821 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.6 p -85.26 -16.55 39.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 0.0 110.837 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' B' ' 16' ' ' GLN . 83.7 m-85 -69.52 -28.57 66.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.497 -175.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.5 p -80.05 -3.7 49.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.881 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.441 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 17.2 t70 -96.91 -18.07 19.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.147 0.498 . . . . 0.0 110.24 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.15 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.043 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -93.25 0.48 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.077 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' B' ' 21' ' ' ASP . 63.5 mttm -80.89 24.92 0.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.054 0.454 . . . . 0.0 111.168 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.43 -23.63 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.945 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.473 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.4 OUTLIER -101.25 109.16 57.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.664 173.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.56 95.57 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.385 2.057 . . . . 0.0 112.277 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.803 175.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.696 ' HB2' ' SD ' ' B' ' 44' ' ' MET . 60.3 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.742 0.306 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.696 ' SD ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -131.1 -47.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.755 -178.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.722 ' HB3' HG22 ' B' ' 50' ' ' ILE . 16.0 mt -97.44 100.5 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 m -95.03 139.53 22.11 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.418 -173.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -45.21 -30.91 5.53 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.001 3.134 . . . . 0.0 112.828 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.8 -49.21 29.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.01 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -102.01 -41.76 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.225 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 1.038 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 29.7 pt -64.76 -25.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -166.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.98 -5.94 5.37 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.492 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 26.7 mm-40 -86.54 -28.15 23.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.492 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -131.85 -52.4 0.98 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.935 -173.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 1.038 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 N--CA 1.46 -0.469 0 N-CA-C 110.78 -0.508 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.589 ' HD2' ' OE1' ' A' ' 20' ' ' GLN . 34.0 ttm180 -86.86 24.19 1.55 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -164.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.13 -173.71 39.67 Favored Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.201 -0.999 . . . . 0.0 114.044 170.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -115.23 25.72 10.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.021 -0.589 . . . . 0.0 109.988 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.8 mtm -44.45 153.67 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -70.6 163.25 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.191 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -56.65 -35.74 68.71 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.914 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -48.13 74.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.47 0.652 . . . . 0.0 109.89 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.898 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -65.84 -38.32 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.482 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.686 ' HA ' HE21 ' A' ' 20' ' ' GLN . 5.7 m-85 -59.99 -41.21 91.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.48 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.403 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 21.4 t80 -52.18 -57.53 9.36 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.523 0.514 . . . . 0.0 111.064 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 HG12 ' CE1' ' A' ' 40' ' ' PHE . 78.6 t -65.4 -40.72 89.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.686 HE21 ' HA ' ' A' ' 17' ' ' PHE . 6.6 tt0 -58.46 -52.28 66.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.576 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -63.19 -40.23 96.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.701 0.286 . . . . 0.0 111.115 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 m -72.44 -23.31 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.456 0.646 . . . . 0.0 110.137 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.888 ' HD3' ' HA ' ' B' ' 54' ' ' PHE . 47.1 ttm-85 -80.92 -56.08 4.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.714 -175.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 17.7 tt0 -67.93 -36.16 79.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.252 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.05 -42.72 81.05 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.779 0.8 . . . . 0.0 109.39 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.68 -44.45 96.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.145 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.263 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.1 mmtt -53.23 -41.81 65.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.868 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -94.44 -23.51 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -130.91 89.11 43.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.22 -30.42 4.28 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.103 2.535 . . . . 0.0 113.578 -174.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.42 16.34 26.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.921 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.63 159.97 17.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.1 m -144.4 110.53 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.066 -0.397 . . . . 0.0 111.136 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG11 HH12 ' A' ' 23' ' ' ARG . 16.1 m -66.34 152.01 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.137 0.494 . . . . 0.0 111.579 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.438 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 43.1 m-80 -84.17 119.23 24.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 165.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -55.56 -51.07 68.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.731 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 m -63.05 -33.2 74.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 111.65 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HG3' ' HB2' ' A' ' 36' ' ' ASN . 13.5 mm-40 -63.77 -60.33 3.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.406 0.622 . . . . 0.0 111.264 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.473 ' CE1' HG12 ' A' ' 19' ' ' VAL . 3.5 t80 -64.71 -42.9 94.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.41 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 p -60.73 -52.52 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.588 -175.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.87 -53.29 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.601 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.56 -34.85 79.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -90.53 -25.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.559 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.5 p -63.73 -51.44 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.15 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.588 ' O ' HG21 ' A' ' 50' ' ' THR . 42.2 mt-10 -68.04 -31.34 70.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.463 HH11 ' HD2' ' A' ' 47' ' ' ARG . 20.2 ttt180 -56.22 -39.95 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 174.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.578 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 20.4 t-105 -66.93 -47.69 70.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.9 mttt -56.11 -44.41 79.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.542 -173.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.588 HG21 ' O ' ' A' ' 46' ' ' GLU . 6.8 t -98.93 14.64 28.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.643 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.526 ' O ' ' HE3' ' A' ' 56' ' ' LYS . 24.0 ttm -72.95 158.23 35.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.704 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.522 ' N ' ' HG2' ' A' ' 51' ' ' MET . 3.4 m -57.87 131.25 49.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.133 172.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -31.75 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.37 67.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.088 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -71.18 -38.62 72.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.578 ' HE2' ' O ' ' A' ' 48' ' ' TRP . 98.4 mttt -54.93 -42.22 71.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.258 0.552 . . . . 0.0 109.862 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.5 77.92 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.375 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -63.31 -43.21 98.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.151 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 94.3 m-85 -69.89 -32.08 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -68.34 -37.45 80.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.332 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.57 -49.69 74.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.4 mtm -64.15 -33.28 75.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.718 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.65 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -68.81 -40.61 79.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.48 80.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.5 m-20 -71.81 -35.24 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.174 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 25.6 ttpp -64.13 -46.49 83.9 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.86 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.33 86.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.015 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -64.68 -42.46 95.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 14.0 t80 -56.4 -52.6 64.04 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 175.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.226 -176.46 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.748 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 60.1 mt-30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.49 0.662 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.09 -62.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.091 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.527 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 3.3 p -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.748 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 97.0 m-85 -65.37 -32.58 74.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -76.96 -32.79 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 110.055 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.36 -5.81 48.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.611 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 18' ' ' THR . 90.0 mt -67.8 -35.81 79.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.26 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -98.3 -2.11 40.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -89.93 24.99 2.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.44 1.29 42.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 156.88 41.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.01 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.15 94.11 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.349 1.366 . . . . 0.0 111.551 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.725 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 120.775 0.322 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.898 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -101.16 -46.46 5.05 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.8 -176.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.716 ' HB3' HG23 ' B' ' 50' ' ' ILE . 42.6 mt -103.89 112.4 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.432 ' O ' HG21 ' B' ' 50' ' ' ILE . 30.6 t -78.61 133.57 62.76 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.654 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -59.36 -2.3 1.3 Allowed 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.952 3.101 . . . . 0.0 115.078 -173.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.13 -69.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 111.183 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.37 -14.06 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.104 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.716 HG23 ' HB3' ' B' ' 45' ' ' LEU . 42.5 pt -70.75 -15.86 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -171.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.82 -12.07 15.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.152 0.501 . . . . 0.0 112.034 -168.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.537 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 0.5 OUTLIER -96.3 -18.77 19.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.678 ' CH2' HG22 ' B' ' 50' ' ' ILE . 5.0 p-90 -131.44 8.1 4.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.808 -0.557 . . . . 0.0 112.428 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.888 ' HA ' ' HD3' ' A' ' 23' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 N-CA-C 113.334 0.475 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 65.9 mtm180 -80.3 -65.99 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 171.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 1.019 ' HA3' ' HB2' ' A' ' 70' ' ' TYR . . . 66.29 -89.71 0.14 Allowed Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.389 -0.823 . . . . 0.0 115.141 166.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.737 ' HG2' ' HG2' ' A' ' 67' ' ' LYS . 83.8 mttt -80.18 24.04 0.45 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -168.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.601 ' SD ' ' HB3' ' A' ' 9' ' ' ARG . 72.9 mtp -54.76 139.67 38.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 151.93 25.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.438 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 110.207 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.427 ' HH ' HD22 ' B' ' 43' ' ' LEU . 0.4 OUTLIER -62.02 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.588 177.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.727 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -69.99 -39.26 76.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.999 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HD1' ' HB2' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.26 -37.78 88.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.706 -177.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.94 -50.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.832 HG21 ' HG3' ' B' ' 44' ' ' MET . 69.2 t -67.89 -43.38 85.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -53.01 61.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.582 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -63.39 -38.04 89.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.331 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.4 m -69.1 -43.4 74.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.523 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.555 HH21 ' HB2' ' A' ' 24' ' ' GLU . 4.2 ttp85 -66.95 -49.99 63.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.935 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.555 ' HB2' HH21 ' A' ' 23' ' ' ARG . 17.2 tt0 -70.46 -31.94 69.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.915 -170.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.604 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.7 tt0 -62.51 -43.64 98.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 0.0 109.49 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -67.67 -31.07 70.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.374 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.28 -25.86 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.87 -50.56 16.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.604 ' HE2' ' HG2' ' A' ' 25' ' ' GLU . 55.5 mttm -61.27 -43.7 98.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -122.2 90.41 49.03 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.83 -23.5 35.23 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.915 2.41 . . . . 0.0 112.454 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -87.77 -12.6 44.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.555 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.77 112.04 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.46 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 133.24 46.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -75.19 152.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -174.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 10.3 m120 -74.47 112.18 10.39 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 168.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.62 -50.86 69.04 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.058 0.224 . . . . 0.0 111.452 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -56.08 -44.32 78.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 0.0 110.54 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 2.4 mm-40 -59.83 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.615 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 23.4 t80 -65.38 -46.46 80.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.655 -169.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -58.57 -43.93 89.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.684 0.278 . . . . 0.0 110.952 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 24.1 ttpp -71.0 -57.0 4.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.18 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.686 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.58 -34.23 77.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.557 -171.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.54 -34.97 65.47 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.672 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 46.7 t -61.47 -50.51 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 29.8 mt-10 -57.38 -42.77 82.8 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.512 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 51' ' ' MET . 41.0 ttt180 -64.13 -51.62 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.277 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.19 -53.16 46.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 45' ' ' SER . 95.3 mttt -57.59 -32.31 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.208 -175.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -98.99 3.15 46.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 46.1 mtm -71.33 161.26 31.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 111.414 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -78.97 162.49 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.721 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.96 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.846 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.83 -49.45 75.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.44 -48.51 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.344 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.49 -41.27 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.88 -35.05 84.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.835 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.58 -46.89 87.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -70.03 -28.51 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.28 -39.05 93.15 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' HA ' ' HZ3' ' A' ' 64' ' ' LYS . 65.7 m-20 -59.87 -52.26 66.18 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.25 -30.78 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.58 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.116 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HZ3' ' HA ' ' A' ' 61' ' ' ASP . 9.2 pttm -74.82 -26.01 59.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.252 0.549 . . . . 0.0 110.435 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.69 75.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.204 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -26.21 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.737 ' HG2' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -55.45 -48.96 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.739 176.286 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.07 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.498 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.4 -41.76 90.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.49 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 1.019 ' HB2' ' HA3' ' A' ' 10' ' ' GLY . 75.3 t80 -56.52 -48.77 76.52 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 27.9 mt-10 . . . . . 0 N--CA 1.45 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.909 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.685 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 25.6 mt-30 . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -56.51 -45.28 81.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.471 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 20.0 m -66.33 -36.46 82.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.685 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 88.6 m-85 -75.09 -36.35 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.279 -174.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.4 m -76.55 -7.74 55.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -99.08 -12.21 20.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.211 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.508 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 89.1 mt -62.45 -33.56 75.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.297 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -93.02 0.4 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.206 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.449 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 65.6 mttm -82.67 25.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.65 -30.88 71.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.046 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.2 168.28 28.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.721 176.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.38 93.84 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.432 1.421 . . . . 0.0 110.418 170.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' B' ' 24' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -174.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.444 ' HB3' ' CE ' ' B' ' 44' ' ' MET . 47.0 mt . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 111.152 0.056 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.832 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.3 pmm? -130.75 -65.81 0.78 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.548 HD12 ' CH2' ' B' ' 53' ' ' TRP . 65.6 mt -123.57 140.78 52.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.768 -0.583 . . . . 0.0 111.687 -165.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 p -87.92 128.05 55.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.021 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 75.9 Cg_exo -51.78 -40.97 64.76 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.907 3.071 . . . . 0.0 114.05 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.71 -46.54 81.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 111.316 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.426 ' HB3' ' HE1' ' B' ' 53' ' ' TRP . 9.1 m-20 -75.03 -39.07 61.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' B' ' 54' ' ' PHE . 6.2 mt -49.77 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.45 -5.62 25.05 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.548 ' CH2' HD12 ' B' ' 45' ' ' LEU . 44.0 p-90 -130.98 -30.54 1.78 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.511 ' CD2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--O 1.234 0.307 0 CA-C-O 120.717 0.216 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.611 ' HD2' ' NE2' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -85.62 -32.24 22.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.83 -172.66 30.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.539 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HD2' ' HG2' ' A' ' 67' ' ' LYS . 31.6 mmtp -101.67 -50.62 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm 36.57 -156.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.293 0.995 . . . . 0.0 112.797 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -121.36 170.66 9.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.52 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -57.72 -31.61 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.538 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.51 ' CE1' ' HE2' ' B' ' 44' ' ' MET . 0.4 OUTLIER -60.78 -49.85 75.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.545 0.688 . . . . 0.0 110.019 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 1.022 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -67.32 -30.89 70.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 63' ' ' ALA . 3.3 m-85 -63.76 -34.52 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.236 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -56.99 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.257 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 ' CE2' ' A' ' 40' ' ' PHE . 24.3 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.611 ' NE2' ' HD2' ' A' ' 9' ' ' ARG . 14.8 tt0 -49.98 -62.4 1.59 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.761 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -66.71 -35.59 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.25 -44.03 66.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.784 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.714 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -70.79 -29.95 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.323 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.714 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 27.3 tt0 -76.13 -44.38 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.75 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -60.1 -41.32 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.661 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 13.8 t-80 -61.3 -38.45 86.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.063 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -85.18 -29.05 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.94 -43.35 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.198 0.523 . . . . 0.0 110.435 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -98.8 -2.91 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.512 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.0 m-70 -149.79 85.06 5.73 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.1 -20.89 63.44 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.728 2.286 . . . . 0.0 113.829 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -98.79 -3.95 34.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.51 93.26 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.45 0.643 . . . . 0.0 110.971 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -76.53 117.98 18.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.429 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.439 HG13 ' HD1' ' A' ' 26' ' ' HIS . 3.9 m -79.67 142.58 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 172.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -96.12 130.39 43.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -47.86 -53.3 16.07 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.623 0.577 . . . . 0.0 110.977 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.63 -50.4 72.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.528 0.68 . . . . 0.0 111.252 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE2' HG11 ' A' ' 19' ' ' VAL . 10.1 t80 -70.24 -47.53 60.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.467 -171.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -61.16 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.83 -53.47 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.516 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.29 -40.96 42.66 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.474 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.63 ' HB3' ' HE1' ' B' ' 44' ' ' MET . 22.4 p -63.45 -51.58 65.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.574 0.226 . . . . 0.0 111.115 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -60.05 -34.1 72.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' ' 51' ' ' MET . 31.2 ttm180 -67.39 -47.79 69.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.587 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 47.7 t-105 -58.34 -41.96 85.79 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.95 0.405 . . . . 0.0 110.513 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 45' ' ' SER . 65.9 mttm -59.05 -33.42 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -92.56 -0.97 57.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 0.0 111.811 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 48' ' ' TRP . 82.9 mtp -81.15 147.93 29.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.46 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -88.84 174.74 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.88 91.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.692 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -57.24 -48.59 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.645 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 1.8 mp0 -67.72 -34.38 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.927 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.77 -35.85 70.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.17 -33.89 88.45 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 16.7 tptm -55.0 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.866 0.466 . . . . 0.0 111.211 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -78.18 -25.73 47.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.37 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.28 -33.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 110.502 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.646 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 19.1 t70 -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 53.5 mtm -75.38 -33.25 61.01 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . . . -61.39 -47.77 84.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.813 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.646 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 22.9 pttp -69.58 -25.23 63.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.4 -49.69 52.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.958 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.8 -23.38 61.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.35 0.595 . . . . 0.0 109.975 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.514 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -54.5 -50.06 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.009 173.072 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.94 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.56 -43.95 95.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.438 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 52.1 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.354 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 38.9 mt-10 . . . . . 0 C--O 1.238 0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.756 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.589 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 18.6 mp0 . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.461 0.172 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -87.42 -71.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.667 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 6.2 m -61.63 -36.33 80.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.161 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.589 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 50.3 m-85 -56.78 -32.53 65.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.536 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 12.1 t -93.53 -26.58 17.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.034 0.445 . . . . 0.0 110.401 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 30.0 t70 -76.41 -26.72 55.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 18' ' ' THR . 96.4 mt -57.43 -38.27 74.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.35 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.508 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 46.1 p-90 -94.98 -0.85 53.47 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.059 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' B' ' 20' ' ' SER . 67.4 mttm -83.95 7.52 18.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.227 0.537 . . . . 0.0 110.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.61 4.44 36.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.925 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.538 ' O ' HD12 ' B' ' 26' ' ' LEU . 1.5 pp -102.47 127.37 30.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.778 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 10.6 Cg_endo -91.28 102.66 0.24 Allowed 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.309 2.672 . . . . 0.0 112.425 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.24 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.488 ' HB3' ' SD ' ' B' ' 44' ' ' MET . 4.5 tt . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.477 0.18 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 1.022 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 2.1 mpt? -90.71 -71.21 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.181 0.515 . . . . 0.0 110.869 -177.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.476 HD21 ' HB1' ' A' ' 16' ' ' ALA . 26.6 mt -92.83 89.35 6.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.052 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.441 ' C ' ' H ' ' B' ' 48' ' ' ASP . 9.2 m -76.54 140.29 68.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.422 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 16.7 Cg_exo -67.12 13.23 0.15 Allowed 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 123.46 2.773 . . . . 0.0 113.503 -175.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' B' ' 46' ' ' SER . 5.7 m-20 -65.06 -67.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.301 0.572 . . . . 0.0 110.24 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.635 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 12.8 t70 -102.42 -28.82 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.457 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 54' ' ' PHE . 32.3 pt -66.51 -22.11 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 114.546 1.314 . . . . 0.0 114.546 -163.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' B' ' 54' ' ' PHE . 34.4 tt0 -63.86 -11.97 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 111.02 -169.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.635 ' HG3' ' O ' ' B' ' 49' ' ' ASP . 30.6 mt-30 -60.54 -32.44 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.958 173.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.437 ' CE2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -128.14 -42.3 1.54 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.163 -177.383 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' B' ' 50' ' ' ILE . 1.1 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HB2' ' CE1' ' A' ' 70' ' ' TYR . 50.0 Cg_exo . . . . . 0 C--O 1.234 0.319 0 CA-C-O 120.923 0.301 . . . . 0.0 112.44 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.893 ' HG3' ' HB2' ' B' ' 53' ' ' TRP . 19.2 ttm-85 -107.72 25.24 11.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.487 -171.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' HA3' ' OD1' ' A' ' 66' ' ' ASP . . . -96.47 -106.78 2.32 Favored Glycine 0 C--O 1.223 -0.543 0 C-N-CA 120.516 -0.85 . . . . 0.0 114.434 -172.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.802 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 2.95 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 -166.068 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' GLY . 41.3 mtm -95.32 168.99 10.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 119.337 0.971 . . . . 0.0 110.269 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -85.11 174.13 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.69 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -56.3 -36.96 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.203 -174.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.34 -53.13 60.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.852 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -72.27 -31.29 65.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 111.021 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.06 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.96 -51.86 62.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.43 -33.2 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.871 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -67.74 -49.59 61.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.88 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 t -60.11 -34.08 73.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.017 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.8 m -71.06 -39.31 72.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.086 0.47 . . . . 0.0 110.549 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 26.2 ttp180 -70.12 -49.04 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.832 0.825 . . . . 0.0 111.005 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -72.83 -30.75 64.28 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.901 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.518 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.8 tt0 -70.19 -29.47 66.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.063 0.458 . . . . 0.0 110.075 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 30' ' ' HIS . 4.5 t-160 -59.82 -35.91 75.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.44 -44.63 95.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.439 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 53.6 mtmt -55.79 -35.63 66.5 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.92 0.391 . . . . 0.0 111.47 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -94.42 -25.82 16.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 0.0 111.033 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.455 ' HB2' ' HD2' ' A' ' 26' ' ' HIS . 61.4 m-70 -139.36 94.51 9.55 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.727 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.83 -14.93 45.99 Favored 'Trans proline' 0 N--CA 1.471 0.159 0 C-N-CA 122.767 2.311 . . . . 0.0 111.73 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.56 13.96 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.935 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.44 89.72 1.66 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.6 m -97.28 94.45 7.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 168.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -79.61 154.12 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.98 119.58 24.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.473 ' HE2' HD13 ' B' ' 50' ' ' ILE . 70.0 m-85 -54.54 -45.74 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 0.0 110.533 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 p -60.35 -58.83 6.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.36 -48.84 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.107 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 31.4 t80 -70.29 -51.8 27.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.582 -171.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 t -64.39 -36.93 85.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.0 110.556 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.364 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -71.6 -37.17 71.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.7 -39.5 80.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.403 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.601 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.1 p -64.02 -48.87 74.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.634 0.254 . . . . 0.0 110.683 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.15 -37.25 86.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.595 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 51' ' ' MET . 71.3 ttt180 -62.68 -46.88 86.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -56.07 -43.69 78.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 45' ' ' SER . 87.1 mttt -66.63 -28.47 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -107.79 18.35 21.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 39.1 ttp -99.88 148.58 24.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -66.67 147.74 52.85 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.189 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -60.68 -30.87 70.19 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.06 -46.87 78.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.258 0.551 . . . . 0.0 110.741 176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.94 -37.26 64.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 57.0 mttm -57.42 -42.04 81.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.366 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.37 91.8 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.559 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -64.26 -47.13 80.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -68.97 -29.53 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -44.61 74.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.088 0.47 . . . . 0.0 109.86 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.99 -41.13 86.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.933 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.4 mtm -71.62 -30.23 65.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 66' ' ' ASP . . . -71.0 -35.25 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -70.11 -35.93 74.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.85 81.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.082 174.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.529 ' OD1' ' HA3' ' A' ' 10' ' ' GLY . 15.1 t70 -58.35 -45.12 88.78 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 174.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -46.69 -51.57 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.554 0.534 . . . . 0.0 110.946 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.99 -45.34 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -60.38 -44.46 95.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.246 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 8' ' ' PRO . 68.2 t80 -61.53 -37.99 85.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.778 0.323 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.3 -15.69 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.6 m -64.33 -28.98 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.4 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 80.4 m-85 -63.94 -23.51 67.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.23 -16.06 59.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.047 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.54 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 29.4 t70 -100.79 -20.16 15.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.46 . . . . 0.0 111.119 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 18' ' ' THR . 89.6 mt -61.42 -40.34 94.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.263 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -81.67 -1.87 48.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.7 0.286 . . . . 0.0 111.579 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.54 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 46.5 mtpt -79.16 24.94 0.31 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.86 10.75 4.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.368 0.604 . . . . 0.0 109.909 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 mt -95.41 152.78 39.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.167 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.28 96.57 0.28 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.546 2.164 . . . . 0.0 112.613 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.571 177.717 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.852 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 1.6 mpt? -105.27 -71.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 0.0 111.15 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.497 HD22 ' HB1' ' A' ' 16' ' ' ALA . 59.8 mt -92.96 91.64 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.93 -172.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.45 ' O ' HG21 ' B' ' 50' ' ' ILE . 18.9 m -61.89 131.07 93.0 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.133 -174.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.445 ' O ' ' HG2' ' B' ' 51' ' ' GLU . 80.6 Cg_exo -49.03 -43.53 35.73 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.881 3.054 . . . . 0.0 114.539 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.36 -35.84 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.02 -42.61 20.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.448 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.857 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 15.7 pt -65.47 -19.5 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 47' ' ' PRO . 25.8 mm-40 -62.97 -10.86 15.27 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.48 -177.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -101.71 -41.98 6.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.672 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.893 ' HB2' ' HG3' ' A' ' 9' ' ' ARG . 23.0 p-90 -124.94 18.47 8.51 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -171.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.857 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.774 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 C--O 1.236 0.394 0 N-CA-C 111.438 -0.254 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.682 ' HA ' HH11 ' A' ' 9' ' ' ARG . 2.1 tpp180 -83.09 -11.27 58.15 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.735 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 105.89 2.8 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.759 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -50.82 -45.11 59.32 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 123.99 0.464 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.7 mtm 35.26 -154.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 O-C-N 124.189 0.931 . . . . 0.0 113.359 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 m -95.94 160.14 14.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.862 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 p -61.25 -33.18 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.323 0.583 . . . . 0.0 110.539 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.456 ' HH ' HD22 ' B' ' 43' ' ' LEU . 1.6 t80 -57.38 -51.55 68.97 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.092 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' B' ' 45' ' ' LEU . . . -67.25 -32.59 73.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.81 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.713 ' CZ ' ' HA ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -61.89 -32.91 73.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.941 178.375 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.612 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 83.3 t80 -57.59 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.992 175.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.536 HG21 ' SD ' ' B' ' 44' ' ' MET . 70.9 t -62.99 -42.3 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 110.507 176.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 9' ' ' ARG . 20.0 tt0 -45.98 -58.29 3.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.474 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.24 -36.9 54.18 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 19' ' ' VAL . 22.5 p -71.56 -33.02 68.74 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.249 0.547 . . . . 0.0 110.169 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.779 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 0.5 OUTLIER -62.25 -49.54 75.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.582 172.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.814 ' HG2' ' HE2' ' A' ' 28' ' ' LYS . 35.0 tt0 -70.7 -36.9 73.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.528 -177.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' HE3' ' A' ' 29' ' ' LYS . 27.4 tt0 -52.09 -43.04 63.71 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.186 0.517 . . . . 0.0 110.249 171.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -61.02 -37.77 83.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.271 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -82.42 -21.54 35.68 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.24 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.814 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 63.9 mttm -69.73 -48.92 57.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.031 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HE3' ' HG3' ' A' ' 25' ' ' GLU . 92.4 mttt -87.41 -16.97 33.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.627 -176.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -139.59 81.24 20.3 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.83 -32.22 67.1 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.977 2.451 . . . . 0.0 112.418 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -75.13 -19.07 60.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.237 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.27 130.84 53.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 p -94.59 -168.89 1.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.15 157.39 40.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 38.9 m-80 -86.51 116.45 24.65 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.631 ' HE2' HD12 ' B' ' 50' ' ' ILE . 47.8 m-85 -44.77 -60.36 2.07 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.747 0.654 . . . . 0.0 112.187 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -64.97 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 -174.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 9.4 mm-40 -79.93 -51.87 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -60.91 -37.58 82.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.539 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -64.82 -50.91 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.712 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.6 ptpp? -61.2 -48.68 80.42 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -66.18 -45.14 81.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.101 -175.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.612 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 97.6 m -64.98 -35.31 80.77 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.441 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 32.8 t -65.17 -40.85 94.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.902 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.632 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 46.3 mt-10 -58.24 -45.02 88.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.006 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 51' ' ' MET . 70.5 ttt180 -66.38 -42.78 87.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.384 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -57.46 -49.65 75.57 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.585 0.231 . . . . 0.0 111.401 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 45' ' ' SER . 43.4 mttp -63.46 -23.31 67.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -112.98 17.93 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 0.0 111.658 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 52.1 ttp -103.15 156.82 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.849 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -64.02 145.56 55.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.505 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.9 -19.56 60.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -63.2 -45.55 91.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 2.2 mp0 -63.39 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 176.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.97 -47.51 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.272 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -29.85 75.48 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.095 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 33.3 ttpt -62.93 -44.52 95.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.502 175.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.28 -35.56 80.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 110.627 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.77 -42.45 97.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.206 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.98 -28.07 64.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.457 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.713 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . . . -61.23 -41.93 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 109.839 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HZ1' ' HB3' ' A' ' 64' ' ' LYS . 8.6 mtpm? -65.38 -31.51 72.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.412 176.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.22 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.17 -34.51 77.69 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 1.5 tmtp? -57.7 -46.5 84.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.228 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . . . -70.95 -36.77 72.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 110.744 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -66.17 -42.64 88.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 24.6 t80 -49.28 -46.59 46.58 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.07 0.948 . . . . 0.0 110.556 174.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 45.8 mt-10 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.152 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.14 -70.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.989 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.5 p -92.27 18.75 7.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.929 0.395 . . . . 0.0 111.556 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -58.83 -37.58 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.132 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' ' HE2' ' B' ' 24' ' ' LYS . 16.4 m -73.95 -23.17 59.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.656 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 4.5 m-20 -91.05 -11.64 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.661 0.267 . . . . 0.0 111.08 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 18' ' ' THR . 95.8 mt -62.68 -38.31 89.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.268 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.437 ' C ' ' H ' ' B' ' 25' ' ' LEU . 59.6 p-90 -92.72 -0.2 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.811 -174.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' B' ' 21' ' ' ASP . 61.6 mttm -75.18 19.83 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 111.921 -175.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' B' ' 23' ' ' TRP . 93.3 mt -80.79 -27.87 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.186 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.9 pp -96.14 145.34 29.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 2.0 Cg_endo -81.95 92.84 0.96 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.241 1.961 . . . . 0.0 113.549 -174.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.898 165.06 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.456 HD22 ' HH ' ' A' ' 15' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.323 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.536 ' SD ' HG21 ' A' ' 19' ' ' VAL . 14.7 mtm -131.54 -71.75 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 16' ' ' ALA . 41.3 mt -89.11 103.46 16.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.455 ' O ' HG12 ' B' ' 50' ' ' ILE . 74.9 m -71.73 110.82 8.47 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.355 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.421 ' HA ' HD12 ' B' ' 50' ' ' ILE . 87.1 Cg_exo -46.78 -34.12 15.21 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.559 3.506 . . . . 0.0 114.791 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -71.01 -41.73 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.66 -33.23 14.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.373 -174.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.724 HD11 ' CD2' ' B' ' 54' ' ' PHE . 22.6 pt -73.87 -17.74 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.408 -177.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -48.31 -37.63 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.142 0.901 . . . . 0.0 112.184 -170.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.625 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 19.4 pt20 -59.22 -25.18 63.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.625 ' CD1' ' HG3' ' B' ' 52' ' ' GLN . 7.3 p-90 -131.19 -18.59 2.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.779 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 1.8 t80 . . . . . 0 C--N 1.329 -0.318 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.129 -0.374 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.667 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 2.8 mtm180 -83.24 -25.7 31.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.298 0.57 . . . . 0.0 110.954 -178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.629 ' HA2' ' CD1' ' A' ' 70' ' ' TYR . . . 116.87 -136.24 12.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.709 173.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -92.64 22.69 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.023 0.439 . . . . 0.0 110.513 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.667 ' SD ' ' HB3' ' A' ' 9' ' ' ARG . 76.9 mtp -59.95 112.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 13.3 t -84.66 -173.5 4.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.441 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 7.3 p -52.88 -39.47 62.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.479 0.712 . . . . 0.0 112.653 -172.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.6 -63.77 1.18 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.96 0.41 . . . . 0.0 110.707 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' HD21 ' B' ' 45' ' ' LEU . . . -67.87 -28.46 67.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 111.066 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -70.58 -37.89 74.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.023 -178.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -46.78 70.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.305 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -63.57 -53.58 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.049 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.764 HE22 ' HB2' ' B' ' 54' ' ' PHE . 5.5 tp-100 -58.9 -45.83 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.982 -173.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.555 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 12.4 t -62.07 -32.4 72.93 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.2 -176.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.23 -37.85 18.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.433 0.635 . . . . 0.0 110.382 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.631 ' HE ' HG21 ' A' ' 35' ' ' VAL . 19.2 ttt180 -66.23 -49.36 67.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.641 -177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 29.4 tt0 -73.05 -31.83 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' A' ' 21' ' ' THR . 9.7 tp10 -57.56 -49.36 76.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.317 0.579 . . . . 0.0 109.756 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -66.37 -29.37 69.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.257 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -71.22 -38.52 72.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.917 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 34.8 mmtp -71.09 -51.16 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.067 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 54.1 mtmt -70.76 -27.37 63.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -177.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -130.78 90.77 39.08 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 0.0 111.094 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -67.47 -26.87 40.19 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.632 2.221 . . . . 0.0 110.561 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -72.92 -19.36 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.443 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.67 117.54 34.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.029 0.443 . . . . 0.0 111.696 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -97.68 160.61 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.115 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG21 ' HE ' ' A' ' 23' ' ' ARG . 5.5 m -123.33 145.64 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -80.86 136.35 36.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -58.63 -56.15 25.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.216 -173.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 24.9 m -73.55 -46.08 49.6 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.116 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -54.64 -56.7 16.34 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.051 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.31 -40.1 89.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.551 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -72.3 -26.29 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 38' ' ' SER . 98.4 mttt -56.6 -68.26 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.662 0.744 . . . . 0.0 110.323 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -69.52 -25.6 64.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.076 -173.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.6 m -72.2 -34.84 68.69 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.994 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.754 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 19.6 t -61.77 -52.95 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.7 -37.74 76.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.479 ' O ' ' HB2' ' A' ' 51' ' ' MET . 66.0 ttt180 -58.16 -51.73 68.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.937 176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -56.08 -42.77 77.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.012 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.754 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.2 mttt -66.03 -19.19 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.149 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -126.46 18.5 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.66 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 38.7 ttp -93.24 151.62 19.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.01 0.433 . . . . 0.0 111.557 -172.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -61.97 149.78 39.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.759 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.97 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.732 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -56.3 -50.6 70.96 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.633 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.59 -48.79 80.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.344 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -56.93 -50.47 72.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.345 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.69 -40.27 94.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.001 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -60.24 -48.39 81.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.15 -37.13 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.532 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 36.0 tt0 -65.93 -35.35 80.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.604 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.74 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 14.4 t70 -69.65 -45.08 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.75 -29.34 69.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.18 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.276 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.74 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 55.4 pttt -60.94 -31.26 70.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 110.163 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -64.23 -58.98 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.115 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' HA ' ' HB2' ' A' ' 69' ' ' ARG . 3.6 t70 -69.2 -26.25 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 5.6 tmtm? -61.69 -46.57 89.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.679 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.56 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB2' ' HA ' ' A' ' 66' ' ' ASP . 96.9 mtt180 -71.53 -31.19 66.76 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.864 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.629 ' CD1' ' HA2' ' A' ' 10' ' ' GLY . 35.6 t80 -58.07 -41.25 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 109.674 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.948 176.765 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 26.3 pt20 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.809 ' HG3' ' H ' ' B' ' 18' ' ' THR . 6.5 pt-20 -62.89 -69.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.318 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.809 ' H ' ' HG3' ' B' ' 17' ' ' GLU . 28.1 p -107.05 -4.6 18.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.385 0.612 . . . . 0.0 110.563 176.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.458 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 96.1 m-85 -67.34 -23.17 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.71 -173.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 p -75.86 -27.22 57.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.28 0.562 . . . . 0.0 110.947 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.28 -4.45 29.28 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.324 -174.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' B' ' 19' ' ' PHE . 90.6 mt -59.44 -39.76 84.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -87.42 -9.64 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.332 0.587 . . . . 0.0 109.999 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -93.62 24.44 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.931 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.12 -18.15 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.138 0.494 . . . . 0.0 110.442 176.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.505 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.9 OUTLIER -80.97 138.41 49.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.768 173.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.6 Cg_exo -75.0 94.97 0.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.246 1.964 . . . . 0.0 111.697 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.573 176.685 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.23 0.059 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 35.0 mtm -137.97 -73.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 16' ' ' ALA . 23.3 mt -96.01 97.5 9.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.568 ' O ' HG13 ' B' ' 50' ' ' ILE . 9.8 m -63.41 116.26 24.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.213 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.441 ' HA ' HD11 ' B' ' 50' ' ' ILE . 88.4 Cg_exo -47.7 -40.02 30.87 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.779 2.986 . . . . 0.0 113.81 -176.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.24 -40.96 87.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.8 -25.07 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.444 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 46' ' ' SER . 16.0 mt -47.43 -44.15 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.06 -15.73 15.19 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.15 -27.14 26.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.667 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.434 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -127.99 -60.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.988 -174.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.764 ' HB2' HE22 ' A' ' 20' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.708 . . . . 0.0 109.237 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 113.366 0.487 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -68.28 -47.87 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.465 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.41 162.72 11.84 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.36 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HB3' ' HZ2' ' A' ' 11' ' ' LYS . 9.1 mtpm? -96.03 24.84 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.243 0.617 . . . . 0.0 110.643 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.476 ' HE3' HD22 ' B' ' 45' ' ' LEU . 19.9 mtm -55.01 156.94 3.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.224 -173.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -82.74 -179.13 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' A' ' 60' ' ' GLU . 4.8 m -56.19 -43.51 78.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.223 -173.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.425 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.53 -43.56 75.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -177.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' B' ' 44' ' ' MET . . . -77.2 -36.3 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.38 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -36.61 84.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.573 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 59' ' ' PHE . 39.9 t80 -55.75 -53.63 54.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.862 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG23 ' SD ' ' B' ' 44' ' ' MET . 4.7 t -68.47 -32.5 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.985 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.5 -56.07 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.381 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 10.1 t -61.93 -37.05 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.716 -173.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 p -78.19 -37.9 44.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.791 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.021 0.438 . . . . 0.0 110.356 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.45 -29.12 61.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 21' ' ' THR . 6.7 tp10 -60.87 -42.44 97.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.356 0.598 . . . . 0.0 109.964 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -76.06 -25.24 55.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.498 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -79.96 -27.4 39.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -74.39 -45.72 44.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.711 0.291 . . . . 0.0 110.683 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -77.45 -21.82 52.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.838 0.352 . . . . 0.0 111.577 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -136.08 88.36 22.14 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.551 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.15 -16.84 49.89 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.663 2.242 . . . . 0.0 111.081 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -86.08 -26.56 25.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.717 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.79 91.67 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 t -83.22 125.06 31.15 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 m -72.71 141.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.216 0.531 . . . . 0.0 110.792 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 38.8 t30 -79.12 138.25 37.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.891 175.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.801 ' HE2' HD12 ' B' ' 50' ' ' ILE . 58.1 m-85 -59.82 -42.99 94.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.658 0.266 . . . . 0.0 111.163 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.443 ' HB2' ' ND2' ' A' ' 36' ' ' ASN . 13.4 m -61.39 -45.75 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.534 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 36' ' ' ASN . 8.3 pt-20 -69.15 -48.0 63.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -172.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 6.8 t80 -78.04 -53.53 7.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.371 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.0 m -55.54 -44.2 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.396 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -59.89 -56.76 17.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.657 0.265 . . . . 0.0 111.177 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 56.2 pttt -69.73 -35.86 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.674 -175.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.24 -29.06 64.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.452 0.168 . . . . 0.0 111.452 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.729 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 66.7 m -58.3 -58.43 8.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -66.3 -33.23 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.715 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.593 ' O ' ' HG3' ' A' ' 51' ' ' MET . 77.4 ttt180 -57.88 -50.23 74.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.701 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -63.65 -42.36 98.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.729 ' HG3' ' O ' ' A' ' 45' ' ' SER . 62.9 mttm -62.63 -21.44 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.593 -174.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -104.38 7.31 35.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 82.9 mtp -88.27 159.29 18.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.692 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -86.75 158.13 19.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.98 70.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.114 -0.493 . . . . 0.0 112.26 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -62.81 -44.28 96.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.093 0.473 . . . . 0.0 111.078 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.67 -35.71 60.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -62.35 -35.25 78.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.068 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.03 76.89 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.359 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -63.2 -46.43 87.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 96.4 m-85 -72.41 -25.11 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.828 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HA ' ' HG ' ' A' ' 14' ' ' SER . 41.1 tt0 -74.14 -37.26 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.887 174.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 20.7 t70 -66.53 -46.66 75.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.042 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 59' ' ' PHE . 24.1 ptp -63.72 -26.35 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.23 -46.84 31.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.57 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 21.4 pttp -72.13 -24.83 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 110.597 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.43 74.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.402 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -55.49 -47.02 76.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.491 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.96 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.527 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.35 -47.5 79.1 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -53.14 -48.26 68.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 123.634 0.584 . . . . 0.0 110.952 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.164 179.857 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.786 0.326 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.27 -10.75 59.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.329 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.434 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 4.9 m -56.17 -34.04 65.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.66 0.266 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.21 -30.97 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 0.0 111.082 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -86.17 -3.0 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.395 0.617 . . . . 0.0 110.028 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -100.9 -11.05 20.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.829 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 18' ' ' THR . 87.2 mt -66.74 -42.95 85.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.403 -173.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.437 ' C ' ' H ' ' B' ' 25' ' ' LEU . 47.0 p-90 -76.92 -0.54 24.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.97 26.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.435 . . . . 0.0 111.599 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' B' ' 23' ' ' TRP . 86.3 mt -75.44 -18.94 59.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.109 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.496 ' O ' HD12 ' B' ' 26' ' ' LEU . 2.1 pp -102.85 128.19 28.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.7 Cg_exo -79.12 94.33 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.605 2.203 . . . . 0.0 112.942 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 170.546 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.192 0.52 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.523 ' SD ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.69 -70.66 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.567 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.599 ' HB3' HG22 ' B' ' 50' ' ' ILE . 39.6 mt -88.22 88.88 7.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.653 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.43 ' O ' HG12 ' B' ' 50' ' ' ILE . 23.9 m -81.33 132.79 54.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.489 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -43.03 -44.53 9.47 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.221 3.281 . . . . 0.0 115.081 -171.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.03 -48.45 73.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.495 0.664 . . . . 0.0 111.109 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.801 HD12 ' HE2' ' A' ' 37' ' ' PHE . 21.1 pt -91.71 -9.01 10.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.752 -171.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.92 -6.32 2.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.345 0.593 . . . . 0.0 111.44 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.613 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 7.7 mt-30 -77.46 -34.87 54.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.164 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.613 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -130.97 -44.87 1.04 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.099 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.526 ' CG ' HD11 ' B' ' 50' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.46 -0.475 0 CA-C-O 120.606 0.169 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 25.2 ttm105 -67.66 -26.79 66.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.542 . . . . 0.0 110.06 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 70' ' ' TYR . . . 116.59 -135.74 12.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.717 170.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HE2' ' HG3' ' A' ' 67' ' ' LYS . 16.3 ptpt -130.94 24.93 4.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.081 -174.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.405 ' SD ' ' HG2' ' A' ' 9' ' ' ARG . 62.7 mtp -32.14 126.93 0.25 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.75 1.281 . . . . 0.0 112.666 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -66.95 169.99 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.299 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 p -54.81 -39.09 68.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.719 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.443 ' O ' HG21 ' A' ' 19' ' ' VAL . 1.1 t80 -57.22 -48.24 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.405 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.693 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -76.37 -29.5 57.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 110.538 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.419 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 42.3 t80 -55.04 -47.41 74.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.319 173.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 15' ' ' TYR . 2.6 t -68.08 -40.5 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.462 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.71 -56.72 17.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 HG23 ' HE1' ' A' ' 59' ' ' PHE . 7.8 t -62.34 -37.0 83.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.161 0.288 . . . . 0.0 111.614 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.3 m -72.78 -43.74 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.362 0.601 . . . . 0.0 110.358 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.703 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 19.3 ttp85 -67.63 -54.8 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.923 -177.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.783 ' HG2' ' HE3' ' A' ' 28' ' ' LYS . 33.0 tt0 -74.78 -37.57 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.084 -167.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.67 -39.32 94.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.678 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -62.17 -31.69 72.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.92 -38.18 37.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.783 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 96.6 mttt -71.35 -36.18 71.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.92 -23.05 31.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -139.84 83.9 15.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.33 -38.86 32.36 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.611 2.208 . . . . 0.0 111.759 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.86 -26.57 66.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.454 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.35 105.82 12.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.2 m -89.7 137.91 31.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 m -88.37 155.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 43.6 m-80 -88.64 116.16 26.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -52.41 -59.59 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -64.05 -35.48 80.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.355 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 20.5 mm-40 -67.94 -47.65 68.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.92 -53.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.324 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -61.55 -36.24 80.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -63.06 -55.15 27.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.418 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.83 -35.12 72.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.336 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 84.5 m -73.25 -27.89 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.567 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 91.6 p -64.64 -50.6 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.63 -37.73 88.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.589 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -55.66 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.692 175.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.411 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 47.4 t-105 -52.97 -53.38 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' SER . 94.0 mttt -63.5 -30.54 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.936 -172.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.7 p -96.81 2.72 52.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.589 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 50.6 mtm -75.02 168.73 19.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.324 175.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 p -83.63 161.85 20.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.05 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.595 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -67.86 -32.75 73.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.02 -46.89 27.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.84 -39.13 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.786 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.57 -36.94 93.36 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.5 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -58.95 -50.87 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' HE1' HG23 ' A' ' 21' ' ' THR . 94.0 m-85 -65.69 -31.24 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.925 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.689 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 35.2 tt0 -69.21 -40.47 77.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.485 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 28.9 t70 -70.79 -27.28 63.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.91 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtm -77.52 -33.03 54.42 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.092 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.86 -48.08 69.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.037 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 18.7 ptmt -61.62 -34.01 74.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.503 177.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.88 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.643 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 13.2 t0 -66.8 -42.55 85.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 36.8 ttpt -56.14 -42.45 76.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.671 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.68 74.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.384 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 66' ' ' ASP . 34.4 ptt180 -66.34 -30.23 70.58 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.236 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.409 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 87.1 t80 -66.11 -50.63 63.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.45 174.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.296 0 C-N-CA 122.831 0.452 . . . . 0.0 110.649 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.04 -26.52 67.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -89.49 -40.55 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.134 0.492 . . . . 0.0 110.219 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -67.27 -28.28 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.5 p -64.3 -35.88 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.49 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 0.1 OUTLIER -83.62 -5.11 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.786 0.327 . . . . 0.0 111.275 -176.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.87 -27.49 63.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.534 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 67.0 p-90 -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.716 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 51.0 mtpt -76.38 20.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 111.781 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.418 ' H ' ' C ' ' B' ' 23' ' ' TRP . 89.0 mt -82.3 -18.79 41.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 109.879 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 23' ' ' TRP . 2.6 pp -81.08 154.29 72.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.012 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.22 95.07 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.095 1.863 . . . . 0.0 111.242 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.714 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.693 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -130.34 -71.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.161 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.479 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 10.9 mt -92.45 109.75 21.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.335 -174.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.437 ' O ' HG13 ' B' ' 50' ' ' ILE . 6.1 p -70.82 128.54 90.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.888 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.425 ' HA ' HD12 ' B' ' 50' ' ' ILE . 52.1 Cg_exo -56.58 -25.06 57.13 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.207 2.605 . . . . 0.0 112.632 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.99 -45.06 95.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -94.88 -22.92 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.312 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 46' ' ' SER . 3.6 mt -47.61 -41.81 8.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.878 -1.056 . . . . 0.0 113.586 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.84 -5.92 3.27 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -97.46 -40.57 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -130.7 -16.33 3.37 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -170.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.703 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 1.6 t80 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -173.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.1 -52.32 65.84 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.02 -100.48 1.75 Allowed Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.851 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.607 ' CB ' ' HE3' ' A' ' 7' ' ' LYS . 8.7 m-20 49.88 51.27 10.43 Favored Pre-proline 0 N--CA 1.467 0.389 0 O-C-N 124.013 0.478 . . . . 0.0 111.078 -173.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 4' ' ' ASP . 1.8 Cg_endo -81.75 15.72 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.98 2.453 . . . . 0.0 113.138 -169.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.82 31.72 4.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.128 0.49 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.607 ' HE3' ' CB ' ' A' ' 4' ' ' ASP . 98.2 mttt -67.06 161.03 66.79 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.5 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.91 -167.98 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.204 2.603 . . . . 0.0 111.516 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -47.84 -49.73 28.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.74 -176.99 17.51 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.443 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -106.15 22.41 15.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.417 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 43.7 mtm -51.46 145.3 8.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.446 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.33 167.49 12.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.554 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.694 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 22.1 p -54.67 -31.18 57.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.02 0.438 . . . . 0.0 111.429 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -48.91 71.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.978 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' B' ' 45' ' ' LEU . . . -74.06 -30.23 62.29 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.57 -32.59 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 57.4 t80 -58.41 -50.97 71.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.258 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.44 -43.1 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -58.63 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.748 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -66.66 -33.31 75.37 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.045 0.216 . . . . 0.0 111.37 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.5 t -75.97 -45.87 32.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.624 0.25 . . . . 0.0 110.999 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.805 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -65.74 -31.34 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.805 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 28.2 tt0 -77.61 -45.22 25.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.831 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.53 ' HG3' ' HE2' ' A' ' 29' ' ' LYS . 3.4 tp10 -54.51 -41.5 69.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -66.98 -35.3 79.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.215 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 8.1 tmtm? -78.68 -28.17 45.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.873 0.368 . . . . 0.0 110.293 -175.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.51 ' HD2' ' HG2' ' A' ' 24' ' ' GLU . 42.3 mtpt -70.94 -44.36 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 51.0 mttm -69.47 -35.89 76.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -123.0 88.77 50.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.96 -14.04 40.04 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.819 2.346 . . . . 0.0 111.103 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -85.27 -10.96 55.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.615 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.19 159.72 17.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.937 0.875 . . . . 0.0 112.718 -171.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 t -135.64 -164.01 1.48 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 170.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.88 167.59 25.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 13.3 m120 -93.9 120.92 34.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -52.96 -55.6 22.26 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.555 0.534 . . . . 0.0 112.186 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.91 ' HA ' ' HB3' ' B' ' 41' ' ' ASP . 40.2 m -63.59 -39.61 94.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -176.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.643 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 67.0 mm-40 -65.1 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.401 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.07 -41.5 92.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.545 -171.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -66.87 -33.78 76.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.644 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -72.24 -45.14 61.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.643 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 49.1 mttm -58.26 -45.45 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.139 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.81 -41.67 95.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.158 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.67 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 41.6 t -54.74 -56.42 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.2 -42.33 93.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.104 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -65.68 -43.48 89.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.072 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 51' ' ' MET . 17.0 t-105 -56.47 -50.5 71.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.25 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.67 ' HG3' ' O ' ' A' ' 45' ' ' SER . 55.8 mttm -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.862 -174.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -84.24 -0.21 51.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.429 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 51.8 mtm -83.09 171.77 13.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.876 0.37 . . . . 0.0 111.158 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -90.9 166.58 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.246 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -55.81 -46.31 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.188 0.518 . . . . 0.0 110.737 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 29.2 mt-10 -73.51 -45.16 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.348 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -61.68 -42.72 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.838 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.57 75.61 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.25 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 36.4 ttpt -61.47 -48.37 81.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.257 175.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 93.2 m-85 -67.32 -35.71 79.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.694 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 7.4 tp10 -61.95 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.837 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -62.71 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.818 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.11 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.463 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.44 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.956 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.837 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 9.7 mtmp? -60.85 -39.43 89.12 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 110.647 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.88 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.29 -35.35 58.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.48 -46.12 84.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.844 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.82 82.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.362 . . . . 0.0 111.023 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.9 ttm105 -66.09 -37.45 85.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.95 -47.41 86.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.389 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.96 -38.68 73.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.646 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.76 -47.57 85.71 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.732 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.86 -28.4 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.533 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 0.3 OUTLIER -55.49 -38.2 68.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -67.09 -36.92 83.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.089 0.471 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.0 p -90.33 10.19 25.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.551 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -102.14 130.08 48.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.318 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 3.7 mp -109.26 119.03 49.62 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 78' ' ' ILE . 24.1 Cg_exo -64.12 113.86 2.4 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.224 2.616 . . . . 0.0 113.108 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 4' ' ' ASP . 10.0 Cg_exo -70.81 109.17 2.45 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.889 2.393 . . . . 0.0 110.832 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 81' ' ' LYS . 15.1 tptm 59.09 30.71 20.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.687 0.756 . . . . 0.0 109.986 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.456 ' HA3' ' HB2' ' A' ' 79' ' ' PRO . . . -70.46 89.2 0.35 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.153 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.743 -0.228 . . . . 0.0 110.817 178.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.605 HD13 ' HB2' ' B' ' 16' ' ' GLN . 2.5 pt? . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.7 m -103.39 -1.64 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.035 0.445 . . . . 0.0 110.984 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.605 ' HB2' HD13 ' B' ' 14' ' ' LEU . 98.1 mt-30 -90.29 97.84 11.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.708 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.499 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -104.56 -25.4 12.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.912 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 99.7 m-85 -65.79 -31.61 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.4 t -81.97 -3.18 53.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.5 -18.12 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 76.6 mt -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.666 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -82.69 -11.26 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.722 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -82.48 25.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.127 0.489 . . . . 0.0 111.719 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -88.04 7.55 30.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.501 0.667 . . . . 0.0 109.557 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.75 158.73 80.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.624 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -66.33 95.76 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 121.808 1.672 . . . . 0.0 111.536 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -105.22 14.22 29.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.212 171.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 92.91 -1.72 0.12 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 125.031 1.457 . . . . 0.0 109.013 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.72 70.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.055 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -123.26 4.83 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.035 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -130.9 135.21 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.491 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.82 112.93 2.82 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.272 1.981 . . . . 0.0 111.215 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -91.68 117.81 67.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.52 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.66 128.66 30.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.081 2.521 . . . . 0.0 111.75 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -108.97 -8.47 15.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -93.69 -22.52 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.86 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.29 144.78 14.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 0.0 111.081 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -92.59 -11.01 35.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.063 0.459 . . . . 0.0 110.381 178.649 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.91 ' HB3' ' HA ' ' A' ' 38' ' ' SER . 1.4 p30 -87.34 2.6 49.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.304 0.573 . . . . 0.0 110.494 176.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -111.08 8.19 21.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.074 0.94 . . . . 0.0 109.138 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.636 HD21 ' SD ' ' B' ' 44' ' ' MET . 1.3 tt -62.57 -55.02 31.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.952 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.636 ' SD ' HD21 ' B' ' 43' ' ' LEU . 3.4 mpp? -99.6 -71.34 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.953 -175.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.831 ' HB3' HG23 ' B' ' 50' ' ' ILE . 41.9 mt -94.53 99.0 11.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.857 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.481 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 8.9 t -76.72 133.98 69.59 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.907 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 36.7 Cg_exo -57.24 -36.18 99.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.644 2.896 . . . . 0.0 114.255 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.78 -49.34 48.83 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -93.09 -41.07 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.831 HG23 ' HB3' ' B' ' 45' ' ' LEU . 45.4 pt -67.32 -32.4 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -166.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.435 ' N ' HG13 ' B' ' 50' ' ' ILE . 31.7 mt-10 -58.24 -17.98 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -167.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.76 -37.64 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.865 0.364 . . . . 0.0 111.02 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -123.07 -29.13 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.511 ' HB2' ' HB ' ' B' ' 50' ' ' ILE . 8.2 t80 -54.61 -42.38 71.1 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.3 t -140.69 149.68 42.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -123.01 89.18 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -114.25 152.42 45.93 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.997 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.14 -21.83 17.53 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.835 2.357 . . . . 0.0 111.746 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.38 158.73 10.42 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.908 2.405 . . . . 0.0 112.314 178.779 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.122 -0.391 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -156.01 164.46 38.43 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.46 170.13 29.16 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.423 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.501 ' H ' ' HD2' ' A' ' 7' ' ' LYS . 8.1 m-20 -134.54 145.19 54.05 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.9 12.86 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.515 2.144 . . . . 0.0 111.798 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -124.82 20.6 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.535 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' A' ' 4' ' ' ASP . 37.1 mttm -99.72 122.37 51.4 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.901 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.42 129.53 11.17 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.844 2.363 . . . . 0.0 110.387 171.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.695 ' HD3' HE22 ' A' ' 20' ' ' GLN . 1.5 ptp180 -65.41 -18.47 65.34 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.855 0.36 . . . . 0.0 110.981 -176.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.27 -168.34 20.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.515 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -108.67 26.16 10.87 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.416 ' HB3' ' HB1' ' A' ' 16' ' ' ALA . 24.1 mtm -44.59 141.65 1.93 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.844 -177.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -76.41 179.9 5.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.585 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 59' ' ' PHE . 13.1 m -57.92 -25.86 61.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.145 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -61.64 -54.46 42.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.314 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -67.49 -32.38 73.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 1.4 m-85 -64.76 -36.38 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' THR . 60.1 t80 -54.71 -54.48 41.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 110.621 175.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.47 -42.94 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.695 HE22 ' HD3' ' A' ' 9' ' ' ARG . 25.7 tt0 -64.43 -47.69 78.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.811 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.491 HG21 ' HE1' ' A' ' 59' ' ' PHE . 12.6 t -58.23 -35.56 71.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 p -87.88 -36.68 17.04 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.412 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.639 HH21 ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.64 -42.16 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.122 0.487 . . . . 0.0 110.942 -179.037 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 tp10 -74.88 -45.5 42.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.196 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.543 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 9.6 tp10 -59.97 -28.97 68.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.461 0.648 . . . . 0.0 110.241 176.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -66.0 -40.76 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.286 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HD3' HH21 ' A' ' 23' ' ' ARG . 9.9 mtpm? -82.71 -19.98 36.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.006 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HD3' ' HA ' ' A' ' 25' ' ' GLU . 29.3 mtpp -64.71 -54.29 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.006 0.431 . . . . 0.0 110.003 173.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -77.93 -32.93 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.733 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.488 ' O ' ' HA ' ' A' ' 27' ' ' LYS . 88.6 m-70 -125.99 90.83 49.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.668 0.271 . . . . 0.0 110.49 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.38 -12.75 32.26 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 123.032 2.488 . . . . 0.0 111.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.78 7.1 47.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.161 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.59 89.64 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.163 0.506 . . . . 0.0 112.209 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -84.77 135.05 34.28 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.99 152.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.635 0.255 . . . . 0.0 110.54 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.57 132.15 34.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.31 0.381 . . . . 0.0 111.542 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.416 ' HA ' ' SD ' ' B' ' 40' ' ' MET . 36.1 p -66.62 -52.49 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.143 0.497 . . . . 0.0 110.722 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.4 -60.13 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.659 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -68.53 -52.44 32.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.046 -169.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' B' ' 41' ' ' ASP . 5.6 m -67.38 -36.65 81.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.572 -174.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.04 -48.36 80.61 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.079 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 18.3 ptpt -67.64 -32.88 73.88 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.495 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.74 -40.52 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.644 0.259 . . . . 0.0 110.4 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.659 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 29.2 t -55.25 -52.29 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.865 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.75 -41.0 97.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.117 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 94.5 mtt180 -63.32 -46.25 87.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.281 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -59.16 -46.45 88.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.709 0.29 . . . . 0.0 111.317 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 45' ' ' SER . 42.0 mttm -69.5 -18.86 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -109.99 22.41 15.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.424 ' HE2' ' HE2' ' A' ' 59' ' ' PHE . 46.5 ttp -108.15 151.75 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.12 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -68.52 159.5 31.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.058 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -72.15 -24.22 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.54 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.1 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 37.1 mm-40 -67.66 -38.34 83.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.083 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 63.9 mttm -59.46 -43.35 93.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.02 -30.95 79.34 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.972 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 29.3 ttpt -62.33 -44.8 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 0.0 110.388 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.538 ' HA ' ' HE1' ' A' ' 62' ' ' MET . 61.6 m-85 -70.04 -20.66 63.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.642 ' HG2' ' HE2' ' A' ' 64' ' ' LYS . 39.7 tt0 -71.19 -38.32 72.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.183 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.32 -47.44 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.236 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.538 ' HE1' ' HA ' ' A' ' 59' ' ' PHE . 23.0 ptp -63.63 -31.45 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.56 91.48 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.302 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.642 ' HE2' ' HG2' ' A' ' 60' ' ' GLU . 66.3 mttm -67.27 -37.53 83.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.99 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.585 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 2.6 m-20 -75.38 -17.57 60.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.379 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.07 -41.09 78.01 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -65.8 -36.7 84.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 174.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 66' ' ' ASP . 36.3 ttm180 -65.65 -37.15 85.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.391 175.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.37 -48.59 79.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.297 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 70.6 mm-40 -53.27 -47.83 68.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.434 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 36.8 mtt180 -57.67 -59.73 4.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.369 0.604 . . . . 0.0 110.358 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.19 -41.67 93.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.441 -172.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.557 ' HE1' ' HA ' ' A' ' 74' ' ' MET . 1.4 tpt -67.22 -29.26 68.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.492 -174.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 47.2 mmtm -74.87 -35.25 62.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.326 0.584 . . . . 0.0 110.22 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.7 p -87.16 0.25 55.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.523 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -85.14 128.8 34.8 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.027 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 3.4 mp -94.35 114.45 63.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 78' ' ' ILE . 22.3 Cg_exo -64.4 114.45 2.69 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.838 2.358 . . . . 0.0 111.991 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -90.09 165.16 4.73 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.05 2.5 . . . . 0.0 112.617 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -122.14 92.91 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -116.26 44.21 1.51 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.993 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.085 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.992 0.425 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 m -91.36 -4.41 55.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.014 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' B' ' 19' ' ' PHE . 95.9 mt-30 60.84 20.14 10.35 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.86 -68.8 0.16 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.821 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.6 p -85.26 -16.55 39.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 0.0 110.837 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' B' ' 16' ' ' GLN . 83.7 m-85 -69.52 -28.57 66.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.497 -175.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.5 p -80.05 -3.7 49.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.881 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.441 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 17.2 t70 -96.91 -18.07 19.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.147 0.498 . . . . 0.0 110.24 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.15 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.043 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -93.25 0.48 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.077 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' B' ' 21' ' ' ASP . 63.5 mttm -80.89 24.92 0.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.054 0.454 . . . . 0.0 111.168 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.43 -23.63 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.945 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.473 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.4 OUTLIER -101.25 109.16 57.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.664 173.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.56 95.57 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.385 2.057 . . . . 0.0 112.277 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.483 ' HG3' HG11 ' B' ' 31' ' ' VAL . 44.6 mm-40 -96.59 176.3 6.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.803 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -115.52 -41.97 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.4 0.619 . . . . 0.0 109.738 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.433 ' OD1' ' HB2' ' B' ' 32' ' ' LEU . 24.2 p-10 -151.85 27.44 0.63 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.483 HG11 ' HG3' ' B' ' 28' ' ' GLU . 19.4 m 37.35 53.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 124.307 1.005 . . . . 0.0 110.853 -171.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.433 ' HB2' ' OD1' ' B' ' 30' ' ' ASN . 3.2 tm? -63.99 122.57 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.82 -173.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -130.18 136.96 29.82 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.131 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.45 109.73 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.496 2.13 . . . . 0.0 111.756 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.9 tp -143.75 108.16 5.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.81 109.5 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.815 2.343 . . . . 0.0 112.057 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.0 m -98.52 -6.04 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.458 0.647 . . . . 0.0 109.78 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -63.61 -34.93 78.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.21 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.781 ' HB2' HD23 ' B' ' 43' ' ' LEU . . . -136.86 83.54 2.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.416 ' SD ' ' HA ' ' A' ' 38' ' ' SER . 23.3 ptt? -131.17 -50.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.111 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.408 ' HA ' ' HB3' ' A' ' 41' ' ' SER . 34.9 t70 -120.42 -42.8 2.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.209 -174.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.2 -7.62 2.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.801 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' B' ' 39' ' ' ALA . 60.3 mt -58.9 -38.68 79.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.696 ' SD ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -131.1 -47.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.755 -178.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.722 ' HB3' HG22 ' B' ' 50' ' ' ILE . 16.0 mt -97.44 100.5 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 m -95.03 139.53 22.11 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.418 -173.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -45.21 -30.91 5.53 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.001 3.134 . . . . 0.0 112.828 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.8 -49.21 29.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.01 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -102.01 -41.76 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.225 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 1.038 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 29.7 pt -64.76 -25.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -166.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.98 -5.94 5.37 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.492 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 26.7 mm-40 -86.54 -28.15 23.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.492 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -131.85 -52.4 0.98 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.935 -173.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 1.038 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.9 OUTLIER -83.41 93.39 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.6 p -128.43 144.95 51.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -110.97 105.41 14.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.731 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . 41.2 m-20 -123.86 113.01 28.63 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.63 177.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 57' ' ' ASP . 1.8 Cg_endo -85.13 27.88 0.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 124.265 3.31 . . . . 0.0 112.493 -174.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.81 -149.43 19.52 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.688 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.448 -1.193 0 C-N-CA 122.997 2.464 . . . . 0.0 112.258 177.736 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -93.75 -43.2 8.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.165 0.507 . . . . 0.0 109.651 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.31 68.05 0.44 Allowed Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.99 114.11 9.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 O-C-N 123.861 0.389 . . . . 0.0 111.3 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.01 11.07 3.43 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.81 2.34 . . . . 0.0 112.427 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -122.74 19.84 10.21 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.58 122.21 45.66 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.143 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HG2' ' HE3' ' A' ' 74' ' ' MET . 39.8 Cg_endo -66.9 153.81 76.69 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.376 2.051 . . . . 0.0 110.78 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.589 ' HD2' ' OE1' ' A' ' 20' ' ' GLN . 34.0 ttm180 -86.86 24.19 1.55 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -164.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.13 -173.71 39.67 Favored Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.201 -0.999 . . . . 0.0 114.044 170.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -115.23 25.72 10.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.021 -0.589 . . . . 0.0 109.988 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.8 mtm -44.45 153.67 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -70.6 163.25 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.191 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -56.65 -35.74 68.71 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.914 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -48.13 74.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.47 0.652 . . . . 0.0 109.89 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.898 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -65.84 -38.32 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.482 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.686 ' HA ' HE21 ' A' ' 20' ' ' GLN . 5.7 m-85 -59.99 -41.21 91.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.48 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.403 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 21.4 t80 -52.18 -57.53 9.36 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.523 0.514 . . . . 0.0 111.064 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 HG12 ' CE1' ' A' ' 40' ' ' PHE . 78.6 t -65.4 -40.72 89.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.686 HE21 ' HA ' ' A' ' 17' ' ' PHE . 6.6 tt0 -58.46 -52.28 66.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.576 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -63.19 -40.23 96.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.701 0.286 . . . . 0.0 111.115 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 m -72.44 -23.31 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.456 0.646 . . . . 0.0 110.137 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.888 ' HD3' ' HA ' ' B' ' 54' ' ' PHE . 47.1 ttm-85 -80.92 -56.08 4.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.714 -175.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 17.7 tt0 -67.93 -36.16 79.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.252 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.05 -42.72 81.05 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.779 0.8 . . . . 0.0 109.39 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.68 -44.45 96.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.145 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HE3' ' HB3' ' B' ' 56' ' ' GLU . 4.5 tppp? -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.263 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.1 mmtt -53.23 -41.81 65.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.868 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -94.44 -23.51 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' B' ' 60' ' ' PRO . 56.0 m-70 -130.91 89.11 43.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 175.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.22 -30.42 4.28 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.103 2.535 . . . . 0.0 113.578 -174.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.42 16.34 26.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.921 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' C ' ' HA ' ' B' ' 56' ' ' GLU . . . -88.63 159.97 17.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.575 ' O ' ' HB2' ' B' ' 57' ' ' ASP . 36.1 m -144.4 110.53 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.066 -0.397 . . . . 0.0 111.136 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.59 HG12 ' C ' ' B' ' 56' ' ' GLU . 16.1 m -66.34 152.01 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.137 0.494 . . . . 0.0 111.579 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 43.1 m-80 -84.17 119.23 24.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 165.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' B' ' 41' ' ' ASP . 15.3 m-85 -55.56 -51.07 68.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.731 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 m -63.05 -33.2 74.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 111.65 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HG3' ' HB2' ' A' ' 36' ' ' ASN . 13.5 mm-40 -63.77 -60.33 3.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.406 0.622 . . . . 0.0 111.264 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.473 ' CE1' HG12 ' A' ' 19' ' ' VAL . 3.5 t80 -64.71 -42.9 94.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.41 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 p -60.73 -52.52 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.588 -175.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.87 -53.29 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.601 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.56 -34.85 79.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -90.53 -25.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.559 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.5 p -63.73 -51.44 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.15 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.588 ' O ' HG21 ' A' ' 50' ' ' THR . 42.2 mt-10 -68.04 -31.34 70.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.463 HH11 ' HD2' ' A' ' 47' ' ' ARG . 20.2 ttt180 -56.22 -39.95 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 174.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 20.4 t-105 -66.93 -47.69 70.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.9 mttt -56.11 -44.41 79.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.542 -173.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.588 HG21 ' O ' ' A' ' 46' ' ' GLU . 6.8 t -98.93 14.64 28.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.643 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.526 ' O ' ' HE3' ' A' ' 56' ' ' LYS . 24.0 ttm -72.95 158.23 35.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.704 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.522 ' N ' ' HG2' ' A' ' 51' ' ' MET . 3.4 m -57.87 131.25 49.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.133 172.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -31.75 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.37 67.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.088 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -71.18 -38.62 72.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.578 ' HE2' ' O ' ' A' ' 48' ' ' TRP . 98.4 mttt -54.93 -42.22 71.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.258 0.552 . . . . 0.0 109.862 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.5 77.92 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.375 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -63.31 -43.21 98.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.151 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 94.3 m-85 -69.89 -32.08 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -68.34 -37.45 80.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.332 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.57 -49.69 74.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.4 mtm -64.15 -33.28 75.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.718 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.65 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -68.81 -40.61 79.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.48 80.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.5 m-20 -71.81 -35.24 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.174 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 25.6 ttpp -64.13 -46.49 83.9 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.86 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.33 86.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.015 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -64.68 -42.46 95.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 14.0 t80 -56.4 -52.6 64.04 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 175.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.03 -38.27 78.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.226 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -75.16 -47.19 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.313 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.23 -44.97 86.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.45 ' HE3' ' HG2' ' A' ' 8' ' ' PRO . 49.2 tpp -62.46 -29.93 70.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 178.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 20.5 tptm -67.41 -37.3 82.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 74.2 p -85.78 -14.37 45.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.1 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.06 124.96 36.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.262 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 78' ' ' ILE . 4.4 mp -117.25 93.07 41.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-O 120.986 0.422 . . . . 0.0 109.92 175.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.96 148.95 77.13 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.973 2.449 . . . . 0.0 112.105 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.51 142.24 71.39 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.748 2.299 . . . . 0.0 111.542 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.0 88.73 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.438 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.98 -84.45 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.961 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.237 0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 110.677 177.533 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.1 t -96.74 -32.59 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 -177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.748 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 60.1 mt-30 55.42 75.79 0.3 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.49 0.662 . . . . 0.0 110.165 -174.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.09 -62.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.091 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.527 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 3.3 p -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.748 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 97.0 m-85 -65.37 -32.58 74.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -76.96 -32.79 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 110.055 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.36 -5.81 48.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.611 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 18' ' ' THR . 90.0 mt -67.8 -35.81 79.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.26 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -98.3 -2.11 40.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -89.93 24.99 2.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.44 1.29 42.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 156.88 41.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.01 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.15 94.11 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.349 1.366 . . . . 0.0 111.551 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 71.79 10.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.725 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -109.07 -5.25 16.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.42 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 p30 178.99 -36.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.264 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t 69.15 91.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.078 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.76 96.06 10.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.038 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.466 ' O ' HD21 ' B' ' 35' ' ' LEU . 16.3 m -97.43 148.01 33.81 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.557 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.55 115.54 3.43 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.315 2.01 . . . . 0.0 112.074 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.466 HD21 ' O ' ' B' ' 33' ' ' SER . 2.9 mm? -79.85 140.78 54.6 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.483 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.12 124.73 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.839 2.359 . . . . 0.0 111.754 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.1 m -78.98 -1.71 36.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.948 -174.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -74.86 -41.73 59.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.647 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . 66.76 -171.08 0.19 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.543 0.527 . . . . 0.0 110.575 -175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.6 ttm -130.44 -17.91 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.367 0.603 . . . . 0.0 111.047 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.458 ' CB ' ' HB3' ' A' ' 37' ' ' PHE . 2.2 p-10 -80.61 1.39 30.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.284 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.5 15.02 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.523 . . . . 0.0 110.042 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.53 -62.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.086 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.898 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -101.16 -46.46 5.05 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.8 -176.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.716 ' HB3' HG23 ' B' ' 50' ' ' ILE . 42.6 mt -103.89 112.4 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.432 ' O ' HG21 ' B' ' 50' ' ' ILE . 30.6 t -78.61 133.57 62.76 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.654 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -59.36 -2.3 1.3 Allowed 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.952 3.101 . . . . 0.0 115.078 -173.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.13 -69.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 111.183 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.37 -14.06 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.104 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.716 HG23 ' HB3' ' B' ' 45' ' ' LEU . 42.5 pt -70.75 -15.86 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -171.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.82 -12.07 15.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.152 0.501 . . . . 0.0 112.034 -168.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.537 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 0.5 OUTLIER -96.3 -18.77 19.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.678 ' CH2' HG22 ' B' ' 50' ' ' ILE . 5.0 p-90 -131.44 8.1 4.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.808 -0.557 . . . . 0.0 112.428 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.888 ' HA ' ' HD3' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -122.13 75.95 1.27 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.342 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.465 ' HA ' HG21 ' A' ' 35' ' ' VAL . 6.3 t -174.9 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 173.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.59 ' C ' HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -165.37 93.34 0.58 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.261 0.553 . . . . 0.0 110.632 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' A' ' 34' ' ' SER . 21.9 t70 -70.88 147.44 94.11 Favored Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.123 -171.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' B' ' 57' ' ' ASP . 86.4 Cg_exo -47.81 -16.63 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 124.213 3.276 . . . . 0.0 114.452 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.2 160.64 50.73 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.325 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.475 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 14.1 Cg_exo . . . . . 0 C--O 1.25 1.115 0 C-N-CA 123.139 2.559 . . . . 0.0 112.453 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -110.73 -50.97 2.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.775 0.322 . . . . 0.0 110.432 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.94 175.17 30.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.749 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -109.71 110.58 59.38 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.383 0.611 . . . . 0.0 110.426 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.57 12.74 2.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.89 2.394 . . . . 0.0 112.54 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -106.23 17.12 23.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.861 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 45.5 tttt -92.14 123.49 62.53 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.276 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 18.5 Cg_endo -91.46 150.69 3.58 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 65.9 mtm180 -80.3 -65.99 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 171.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 1.019 ' HA3' ' HB2' ' A' ' 70' ' ' TYR . . . 66.29 -89.71 0.14 Allowed Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.389 -0.823 . . . . 0.0 115.141 166.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.737 ' HG2' ' HG2' ' A' ' 67' ' ' LYS . 83.8 mttt -80.18 24.04 0.45 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -168.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.601 ' SD ' ' HB3' ' A' ' 9' ' ' ARG . 72.9 mtp -54.76 139.67 38.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 151.93 25.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.438 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 110.207 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.427 ' HH ' HD22 ' B' ' 43' ' ' LEU . 0.4 OUTLIER -62.02 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.588 177.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.727 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -69.99 -39.26 76.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.999 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HD1' ' HB2' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.26 -37.78 88.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.706 -177.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.94 -50.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.832 HG21 ' HG3' ' B' ' 44' ' ' MET . 69.2 t -67.89 -43.38 85.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -53.01 61.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.582 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -63.39 -38.04 89.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.331 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.4 m -69.1 -43.4 74.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.523 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.555 HH21 ' HB2' ' A' ' 24' ' ' GLU . 4.2 ttp85 -66.95 -49.99 63.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.935 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.555 ' HB2' HH21 ' A' ' 23' ' ' ARG . 17.2 tt0 -70.46 -31.94 69.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.915 -170.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.604 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.7 tt0 -62.51 -43.64 98.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 0.0 109.49 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -67.67 -31.07 70.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.374 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.28 -25.86 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.87 -50.56 16.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.604 ' HE2' ' HG2' ' A' ' 25' ' ' GLU . 55.5 mttm -61.27 -43.7 98.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -122.2 90.41 49.03 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.83 -23.5 35.23 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.915 2.41 . . . . 0.0 112.454 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -87.77 -12.6 44.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.555 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.77 112.04 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.46 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 133.24 46.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -75.19 152.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -174.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 10.3 m120 -74.47 112.18 10.39 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 168.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' B' ' 40' ' ' MET . 56.2 t80 -55.62 -50.86 69.04 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.058 0.224 . . . . 0.0 111.452 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -56.08 -44.32 78.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 0.0 110.54 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 2.4 mm-40 -59.83 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.615 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 23.4 t80 -65.38 -46.46 80.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.655 -169.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -58.57 -43.93 89.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.684 0.278 . . . . 0.0 110.952 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 24.1 ttpp -71.0 -57.0 4.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.18 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.686 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.58 -34.23 77.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.557 -171.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.54 -34.97 65.47 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.672 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 46.7 t -61.47 -50.51 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 29.8 mt-10 -57.38 -42.77 82.8 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.512 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 51' ' ' MET . 41.0 ttt180 -64.13 -51.62 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.277 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.19 -53.16 46.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 45' ' ' SER . 95.3 mttt -57.59 -32.31 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.208 -175.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -98.99 3.15 46.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 46.1 mtm -71.33 161.26 31.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 111.414 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -78.97 162.49 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.721 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.96 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.846 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.83 -49.45 75.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.44 -48.51 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.344 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.49 -41.27 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.88 -35.05 84.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.835 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.58 -46.89 87.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -70.03 -28.51 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.28 -39.05 93.15 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' HA ' ' HZ3' ' A' ' 64' ' ' LYS . 65.7 m-20 -59.87 -52.26 66.18 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.25 -30.78 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.58 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.116 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HZ3' ' HA ' ' A' ' 61' ' ' ASP . 9.2 pttm -74.82 -26.01 59.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.252 0.549 . . . . 0.0 110.435 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.69 75.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.204 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -26.21 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.737 ' HG2' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -55.45 -48.96 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.739 176.286 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.07 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.498 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.4 -41.76 90.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.49 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 1.019 ' HB2' ' HA3' ' A' ' 10' ' ' GLY . 75.3 t80 -56.52 -48.77 76.52 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 27.9 mt-10 -59.41 -42.16 91.16 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.909 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.756 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -72.06 -41.66 67.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.078 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.82 -30.2 66.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.721 0.296 . . . . 0.0 110.685 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.534 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 2.8 mmt -64.36 -32.62 74.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.494 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 19.0 tptm -68.12 -27.38 66.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.632 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.6 p -93.88 6.53 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.262 0.553 . . . . 0.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -100.69 118.37 36.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.921 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 78' ' ' ILE . 3.9 mp -99.26 113.69 64.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.5 145.7 87.33 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.216 2.611 . . . . 0.0 112.955 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.06 144.72 99.25 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.006 2.471 . . . . 0.0 111.806 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.76 140.41 49.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.81 -89.97 1.91 Allowed Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 175.321 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.595 0.236 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 65.1 p -89.49 -5.19 57.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.685 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 25.6 mt-30 -86.8 51.13 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.538 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -56.51 -45.28 81.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.471 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 20.0 m -66.33 -36.46 82.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.685 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 88.6 m-85 -75.09 -36.35 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.279 -174.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.4 m -76.55 -7.74 55.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -99.08 -12.21 20.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.211 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.508 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 89.1 mt -62.45 -33.56 75.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.297 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -93.02 0.4 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.206 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.449 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 65.6 mttm -82.67 25.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.65 -30.88 71.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.046 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.2 168.28 28.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.721 176.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.38 93.84 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.432 1.421 . . . . 0.0 110.418 170.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -92.31 105.64 17.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -174.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -114.09 -35.98 4.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.181 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -172.47 24.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.817 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.8 t 48.19 82.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.76 0.79 . . . . 0.0 109.854 -165.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.11 139.13 30.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.371 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m -70.92 147.86 94.27 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.682 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.25 109.07 0.66 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.14 1.894 . . . . 0.0 111.395 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 50.8 tp -100.56 121.91 51.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.82 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 35' ' ' LEU . 6.5 Cg_endo -85.49 109.18 1.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.769 2.312 . . . . 0.0 111.24 174.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 12.6 p -75.1 -24.06 58.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.932 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -119.21 15.75 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.432 0.634 . . . . 0.0 110.728 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' B' ' 36' ' ' PRO . . . -137.61 89.15 2.39 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.302 0.572 . . . . 0.0 111.086 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.43 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 84.7 mmm -130.73 4.23 4.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.536 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.92 -6.15 20.51 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.85 -42.94 38.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.307 169.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.444 ' HB3' ' CE ' ' B' ' 44' ' ' MET . 47.0 mt -106.81 -70.69 0.78 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.152 -178.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.832 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.3 pmm? -130.75 -65.81 0.78 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.548 HD12 ' CH2' ' B' ' 53' ' ' TRP . 65.6 mt -123.57 140.78 52.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.768 -0.583 . . . . 0.0 111.687 -165.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 p -87.92 128.05 55.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.021 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 75.9 Cg_exo -51.78 -40.97 64.76 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.907 3.071 . . . . 0.0 114.05 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.71 -46.54 81.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 111.316 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.426 ' HB3' ' HE1' ' B' ' 53' ' ' TRP . 9.1 m-20 -75.03 -39.07 61.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' B' ' 54' ' ' PHE . 6.2 mt -49.77 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.45 -5.62 25.05 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.548 ' CH2' HD12 ' B' ' 45' ' ' LEU . 44.0 p-90 -130.98 -30.54 1.78 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.511 ' CD2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -80.22 -39.83 28.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 -172.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 15.0 t -133.7 160.95 36.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -161.13 161.39 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.399 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -140.49 168.83 13.27 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.86 -32.42 37.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.857 2.371 . . . . 0.0 113.401 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.471 ' HA2' ' HD3' ' B' ' 60' ' ' PRO . . . 87.88 125.08 2.16 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.164 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.471 ' HD3' ' HA2' ' B' ' 59' ' ' GLY . 8.5 Cg_exo . . . . . 0 C--O 1.25 1.093 0 C-N-CA 123.104 2.536 . . . . 0.0 111.753 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -106.85 109.98 22.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.83 -88.88 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.976 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 10.4 t0 -137.35 118.88 10.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 72.8 Cg_endo -95.58 15.36 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.013 2.475 . . . . 0.0 113.689 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -106.64 8.93 31.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.104 0.478 . . . . 0.0 111.038 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 77' ' ' TYR . 15.5 ptmt -114.58 146.94 37.02 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.237 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.88 159.14 53.06 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.619 2.212 . . . . 0.0 111.653 177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.611 ' HD2' ' NE2' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -85.62 -32.24 22.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.83 -172.66 30.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.539 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HD2' ' HG2' ' A' ' 67' ' ' LYS . 31.6 mmtp -101.67 -50.62 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm 36.57 -156.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.293 0.995 . . . . 0.0 112.797 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -121.36 170.66 9.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.52 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -57.72 -31.61 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.538 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.51 ' CE1' ' HE2' ' B' ' 44' ' ' MET . 0.4 OUTLIER -60.78 -49.85 75.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.545 0.688 . . . . 0.0 110.019 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 1.022 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -67.32 -30.89 70.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 63' ' ' ALA . 3.3 m-85 -63.76 -34.52 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.236 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -56.99 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.257 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 ' CE2' ' A' ' 40' ' ' PHE . 24.3 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.611 ' NE2' ' HD2' ' A' ' 9' ' ' ARG . 14.8 tt0 -49.98 -62.4 1.59 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.761 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -66.71 -35.59 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.25 -44.03 66.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.784 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.714 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -70.79 -29.95 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.323 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.714 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 27.3 tt0 -76.13 -44.38 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.75 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -60.1 -41.32 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.661 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 13.8 t-80 -61.3 -38.45 86.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.063 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -85.18 -29.05 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.94 -43.35 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.198 0.523 . . . . 0.0 110.435 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -98.8 -2.91 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.512 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.0 m-70 -149.79 85.06 5.73 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.1 -20.89 63.44 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.728 2.286 . . . . 0.0 113.829 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -98.79 -3.95 34.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.51 93.26 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.45 0.643 . . . . 0.0 110.971 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.445 ' OG ' ' HB2' ' B' ' 57' ' ' ASP . 5.3 m -76.53 117.98 18.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.429 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.439 HG13 ' HD1' ' A' ' 26' ' ' HIS . 3.9 m -79.67 142.58 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 172.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -96.12 130.39 43.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -47.86 -53.3 16.07 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.623 0.577 . . . . 0.0 110.977 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.63 -50.4 72.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.528 0.68 . . . . 0.0 111.252 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE2' HG11 ' A' ' 19' ' ' VAL . 10.1 t80 -70.24 -47.53 60.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.467 -171.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -61.16 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.521 ' HG3' ' HE2' ' B' ' 40' ' ' MET . 63.0 tttp -60.83 -53.47 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.516 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.29 -40.96 42.66 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.474 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.63 ' HB3' ' HE1' ' B' ' 44' ' ' MET . 22.4 p -63.45 -51.58 65.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.574 0.226 . . . . 0.0 111.115 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -60.05 -34.1 72.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' ' 51' ' ' MET . 31.2 ttm180 -67.39 -47.79 69.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.587 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 47.7 t-105 -58.34 -41.96 85.79 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.95 0.405 . . . . 0.0 110.513 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 45' ' ' SER . 65.9 mttm -59.05 -33.42 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -92.56 -0.97 57.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 0.0 111.811 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 48' ' ' TRP . 82.9 mtp -81.15 147.93 29.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.46 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -88.84 174.74 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.88 91.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.692 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -57.24 -48.59 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.645 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 1.8 mp0 -67.72 -34.38 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.927 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.77 -35.85 70.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.17 -33.89 88.45 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 16.7 tptm -55.0 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.866 0.466 . . . . 0.0 111.211 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -78.18 -25.73 47.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.37 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.28 -33.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 110.502 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.646 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 19.1 t70 -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 53.5 mtm -75.38 -33.25 61.01 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . . . -61.39 -47.77 84.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.813 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.646 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 22.9 pttp -69.58 -25.23 63.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.4 -49.69 52.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.958 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.8 -23.38 61.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.35 0.595 . . . . 0.0 109.975 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.514 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -54.5 -50.06 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.009 173.072 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.94 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.56 -43.95 95.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.438 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 52.1 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.354 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 38.9 mt-10 -58.57 -56.04 27.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.756 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -67.98 -35.13 77.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.717 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -72.62 -24.5 61.07 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.568 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.528 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 1.6 mmt -64.47 -37.61 88.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 175.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.93 -21.61 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 p -101.73 11.25 39.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.325 0.583 . . . . 0.0 111.024 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 7' ' ' LYS . 78.8 t80 -111.67 119.83 39.99 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.946 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.68 108.86 48.56 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.63 137.14 73.09 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.876 2.384 . . . . 0.0 112.393 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.95 150.92 75.4 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.069 2.513 . . . . 0.0 112.043 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.25 84.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.803 0.811 . . . . 0.0 111.044 -174.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.02 40.39 0.21 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.177 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 114.898 -0.651 . . . . 0.0 111.056 -173.069 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.96 0.409 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.3 t -116.63 -5.81 11.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.75 0.786 . . . . 0.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.589 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 18.6 mp0 -89.89 82.37 6.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 -173.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -87.42 -71.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.667 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 6.2 m -61.63 -36.33 80.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.161 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.589 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 50.3 m-85 -56.78 -32.53 65.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.536 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 12.1 t -93.53 -26.58 17.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.034 0.445 . . . . 0.0 110.401 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 30.0 t70 -76.41 -26.72 55.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 18' ' ' THR . 96.4 mt -57.43 -38.27 74.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.35 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.508 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 46.1 p-90 -94.98 -0.85 53.47 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.059 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' B' ' 20' ' ' SER . 67.4 mttm -83.95 7.52 18.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.227 0.537 . . . . 0.0 110.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.61 4.44 36.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.925 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.538 ' O ' HD12 ' B' ' 26' ' ' LEU . 1.5 pp -102.47 127.37 30.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.778 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 10.6 Cg_endo -91.28 102.66 0.24 Allowed 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.309 2.672 . . . . 0.0 112.425 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.86 -167.63 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 10.5 t30 -72.2 -60.1 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 53.2 t30 173.23 137.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.779 0.674 . . . . 0.0 109.783 174.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.0 -29.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.3 0.571 . . . . 0.0 110.716 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.1 mt 67.11 108.56 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.961 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.456 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 45.6 m -75.5 127.8 85.32 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.311 172.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 33' ' ' SER . 51.7 Cg_exo -53.29 117.97 4.35 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.431 2.754 . . . . 0.0 113.587 -173.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.39 129.82 23.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.597 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.28 153.45 74.17 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -90.89 16.22 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.46 -65.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.54 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.11 105.47 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.796 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.525 ' HA ' HD13 ' B' ' 43' ' ' LEU . 24.8 ttt -131.49 -44.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.254 0.55 . . . . 0.0 110.968 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.57 -50.13 16.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.256 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -96.9 27.9 3.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.57 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' B' ' 40' ' ' MET . 4.5 tt -55.56 -61.06 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.381 -173.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 1.022 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 2.1 mpt? -90.71 -71.21 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.181 0.515 . . . . 0.0 110.869 -177.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.476 HD21 ' HB1' ' A' ' 16' ' ' ALA . 26.6 mt -92.83 89.35 6.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.052 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.441 ' C ' ' H ' ' B' ' 48' ' ' ASP . 9.2 m -76.54 140.29 68.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.422 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 16.7 Cg_exo -67.12 13.23 0.15 Allowed 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 123.46 2.773 . . . . 0.0 113.503 -175.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' B' ' 46' ' ' SER . 5.7 m-20 -65.06 -67.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.301 0.572 . . . . 0.0 110.24 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.635 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 12.8 t70 -102.42 -28.82 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.457 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 54' ' ' PHE . 32.3 pt -66.51 -22.11 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 114.546 1.314 . . . . 0.0 114.546 -163.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' B' ' 54' ' ' PHE . 34.4 tt0 -63.86 -11.97 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 111.02 -169.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.635 ' HG3' ' O ' ' B' ' 49' ' ' ASP . 30.6 mt-30 -60.54 -32.44 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.958 173.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.437 ' CE2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -128.14 -42.3 1.54 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.163 -177.383 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' B' ' 50' ' ' ILE . 1.1 t80 -91.43 104.53 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 109.716 177.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.9 p -122.93 129.28 51.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.227 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -89.28 110.96 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.445 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 7.9 m-20 -62.38 133.68 94.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -175.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.09 14.54 1.52 Allowed 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.969 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.424 ' HA3' ' HD3' ' B' ' 60' ' ' PRO . . . 86.48 -117.83 4.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.796 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.424 ' HD3' ' HA3' ' B' ' 59' ' ' GLY . 4.9 Cg_exo . . . . . 0 C--O 1.25 1.087 0 C-N-CA 123.215 2.61 . . . . 0.0 112.361 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -122.71 109.64 14.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.425 ' HA2' ' NE2' ' B' ' 52' ' ' GLN . . . -108.97 55.17 0.52 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.697 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.84 116.25 64.33 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.574 ' HG2' ' HE3' ' A' ' 6' ' ' LYS . 89.5 Cg_endo -80.07 14.74 1.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.683 2.256 . . . . 0.0 113.045 -176.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.574 ' HE3' ' HG2' ' A' ' 5' ' ' PRO . 28.6 mmtp -113.61 11.12 18.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 109.583 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.625 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 10.4 mtpm? -85.12 151.92 57.8 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.513 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.54 ' HG2' ' HE2' ' A' ' 74' ' ' MET . 50.0 Cg_exo -56.85 158.49 16.82 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.428 2.752 . . . . 0.0 112.44 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.893 ' HG3' ' HB2' ' B' ' 53' ' ' TRP . 19.2 ttm-85 -107.72 25.24 11.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.487 -171.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' HA3' ' OD1' ' A' ' 66' ' ' ASP . . . -96.47 -106.78 2.32 Favored Glycine 0 C--O 1.223 -0.543 0 C-N-CA 120.516 -0.85 . . . . 0.0 114.434 -172.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.802 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 2.95 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 -166.068 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' GLY . 41.3 mtm -95.32 168.99 10.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 119.337 0.971 . . . . 0.0 110.269 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -85.11 174.13 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.69 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -56.3 -36.96 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.203 -174.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.34 -53.13 60.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.852 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -72.27 -31.29 65.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 111.021 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.06 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.96 -51.86 62.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.43 -33.2 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.871 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -67.74 -49.59 61.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.88 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 t -60.11 -34.08 73.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.017 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.8 m -71.06 -39.31 72.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.086 0.47 . . . . 0.0 110.549 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 26.2 ttp180 -70.12 -49.04 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.832 0.825 . . . . 0.0 111.005 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -72.83 -30.75 64.28 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.901 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.8 tt0 -70.19 -29.47 66.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.063 0.458 . . . . 0.0 110.075 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 30' ' ' HIS . 4.5 t-160 -59.82 -35.91 75.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.44 -44.63 95.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.439 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 53.6 mtmt -55.79 -35.63 66.5 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.92 0.391 . . . . 0.0 111.47 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -94.42 -25.82 16.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 0.0 111.033 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' HB2' ' HD2' ' A' ' 26' ' ' HIS . 61.4 m-70 -139.36 94.51 9.55 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.727 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.83 -14.93 45.99 Favored 'Trans proline' 0 N--CA 1.471 0.159 0 C-N-CA 122.767 2.311 . . . . 0.0 111.73 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.56 13.96 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.935 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.44 89.72 1.66 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.6 m -97.28 94.45 7.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 168.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -79.61 154.12 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.98 119.58 24.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.473 ' HE2' HD13 ' B' ' 50' ' ' ILE . 70.0 m-85 -54.54 -45.74 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 0.0 110.533 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.42 ' HA ' ' CG ' ' B' ' 40' ' ' MET . 7.4 p -60.35 -58.83 6.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.36 -48.84 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.107 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 31.4 t80 -70.29 -51.8 27.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.582 -171.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 t -64.39 -36.93 85.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.0 110.556 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.364 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -71.6 -37.17 71.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.7 -39.5 80.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.403 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.601 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.1 p -64.02 -48.87 74.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.634 0.254 . . . . 0.0 110.683 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.15 -37.25 86.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.595 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 51' ' ' MET . 71.3 ttt180 -62.68 -46.88 86.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -56.07 -43.69 78.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 45' ' ' SER . 87.1 mttt -66.63 -28.47 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -107.79 18.35 21.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 39.1 ttp -99.88 148.58 24.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -66.67 147.74 52.85 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.189 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -60.68 -30.87 70.19 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.06 -46.87 78.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.258 0.551 . . . . 0.0 110.741 176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.94 -37.26 64.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 57.0 mttm -57.42 -42.04 81.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.366 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.37 91.8 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.559 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -64.26 -47.13 80.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -68.97 -29.53 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -44.61 74.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.088 0.47 . . . . 0.0 109.86 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.99 -41.13 86.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.933 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.4 mtm -71.62 -30.23 65.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 66' ' ' ASP . . . -71.0 -35.25 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -70.11 -35.93 74.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.85 81.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.082 174.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.529 ' OD1' ' HA3' ' A' ' 10' ' ' GLY . 15.1 t70 -58.35 -45.12 88.78 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 174.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -46.69 -51.57 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.554 0.534 . . . . 0.0 110.946 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -75.99 -45.34 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.695 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -60.38 -44.46 95.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.246 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 8' ' ' PRO . 68.2 t80 -61.53 -37.99 85.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.7 mt-10 -70.36 -38.03 74.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 37.8 mtp180 -65.08 -40.49 94.73 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' ' 8' ' ' PRO . 13.2 tt0 -63.49 -39.82 95.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.325 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.601 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 21.8 mmt -63.07 -26.03 68.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 47.4 mmtm -72.07 -14.15 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.871 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.9 p -112.92 -16.53 12.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -97.66 116.3 29.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.919 0.39 . . . . 0.0 110.617 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.416 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.1 mp -111.68 111.51 54.32 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.603 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.49 138.45 46.02 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.097 2.531 . . . . 0.0 111.875 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.88 109.05 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.752 2.302 . . . . 0.0 112.9 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 63.18 128.51 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.959 0.903 . . . . 0.0 113.283 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.25 -92.48 2.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 174.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 175.679 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 14' ' ' LEU . 6.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -77.34 -47.31 20.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.926 0.393 . . . . 0.0 110.189 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -102.87 150.3 23.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.46 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.3 -15.69 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.6 m -64.33 -28.98 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.4 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 80.4 m-85 -63.94 -23.51 67.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.23 -16.06 59.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.047 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.54 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 29.4 t70 -100.79 -20.16 15.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.46 . . . . 0.0 111.119 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 18' ' ' THR . 89.6 mt -61.42 -40.34 94.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.263 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -81.67 -1.87 48.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.7 0.286 . . . . 0.0 111.579 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.54 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 46.5 mtpt -79.16 24.94 0.31 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.86 10.75 4.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.368 0.604 . . . . 0.0 109.909 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 mt -95.41 152.78 39.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.167 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.28 96.57 0.28 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.546 2.164 . . . . 0.0 112.613 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -154.29 175.96 12.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.571 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -123.36 -41.44 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.536 0.208 . . . . 0.0 111.389 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -135.31 3.0 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t 64.31 61.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -169.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.9 139.77 41.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.61 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -60.16 149.97 73.08 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.984 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.43 111.1 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.662 2.241 . . . . 0.0 112.083 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp -144.61 126.8 8.19 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.034 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.604 ' HG2' ' HB2' ' B' ' 39' ' ' ALA . 17.7 Cg_endo -59.07 143.86 99.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.81 2.34 . . . . 0.0 112.402 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -84.67 -10.31 57.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.921 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -122.15 23.17 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 111.272 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.604 ' HB2' ' HG2' ' B' ' 36' ' ' PRO . . . -81.88 -2.38 50.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.759 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.42 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 1.5 pmm? -109.42 -9.97 14.92 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.663 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' B' ' 45' ' ' LEU . 43.6 t0 -90.28 11.69 20.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.006 0.908 . . . . 0.0 109.5 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.0 -26.2 64.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.809 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.61 -52.91 63.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.852 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 1.6 mpt? -105.27 -71.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 0.0 111.15 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.497 HD22 ' HB1' ' A' ' 16' ' ' ALA . 59.8 mt -92.96 91.64 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.93 -172.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.45 ' O ' HG21 ' B' ' 50' ' ' ILE . 18.9 m -61.89 131.07 93.0 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.133 -174.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.445 ' O ' ' HG2' ' B' ' 51' ' ' GLU . 80.6 Cg_exo -49.03 -43.53 35.73 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.881 3.054 . . . . 0.0 114.539 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.36 -35.84 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.02 -42.61 20.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.448 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.857 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 15.7 pt -65.47 -19.5 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.539 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 25.8 mm-40 -62.97 -10.86 15.27 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.48 -177.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.425 ' NE2' ' HA2' ' A' ' 3' ' ' GLY . 73.9 mt-30 -101.71 -41.98 6.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.672 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.893 ' HB2' ' HG3' ' A' ' 9' ' ' ARG . 23.0 p-90 -124.94 18.47 8.51 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -171.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.857 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.5 OUTLIER -136.34 -57.58 0.75 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.539 ' HB ' ' HA ' ' B' ' 51' ' ' GLU . 1.9 m -78.28 105.29 9.42 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.068 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -71.18 89.78 0.86 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . 2.1 p-10 -85.85 137.4 35.75 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.267 -171.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 57' ' ' ASP . 95.7 Cg_endo -96.08 25.44 0.29 Allowed 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.501 2.801 . . . . 0.0 110.899 171.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.0 -140.34 16.32 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.535 2.156 . . . . 0.0 111.72 175.045 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.742 ' HE3' ' HB3' ' B' ' 56' ' ' GLU . 33.8 ttpt 61.12 45.16 9.36 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.821 0.819 . . . . 0.0 109.499 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.82 -135.61 2.53 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.756 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.428 ' HB3' ' HD2' ' A' ' 7' ' ' LYS . 10.6 t70 -157.32 127.38 3.35 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 117.107 0.454 . . . . 0.0 110.695 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -87.67 6.16 5.2 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.903 2.402 . . . . 0.0 113.867 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -123.11 17.95 9.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.19 0.519 . . . . 0.0 111.671 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HD2' ' HB3' ' A' ' 4' ' ' ASP . 58.8 mttm -99.08 119.63 60.3 Favored Pre-proline 0 C--N 1.311 -1.071 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.078 174.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' HD3' ' HG2' ' A' ' 73' ' ' GLU . 11.9 Cg_endo -55.93 162.45 7.05 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.943 2.429 . . . . 0.0 111.438 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.682 ' HA ' HH11 ' A' ' 9' ' ' ARG . 2.1 tpp180 -83.09 -11.27 58.15 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.735 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 105.89 2.8 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.759 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -50.82 -45.11 59.32 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 123.99 0.464 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.7 mtm 35.26 -154.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 O-C-N 124.189 0.931 . . . . 0.0 113.359 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 m -95.94 160.14 14.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.862 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 p -61.25 -33.18 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.323 0.583 . . . . 0.0 110.539 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.456 ' HH ' HD22 ' B' ' 43' ' ' LEU . 1.6 t80 -57.38 -51.55 68.97 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.092 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' B' ' 45' ' ' LEU . . . -67.25 -32.59 73.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.81 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.713 ' CZ ' ' HA ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -61.89 -32.91 73.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.941 178.375 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.612 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 83.3 t80 -57.59 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.992 175.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.536 HG21 ' SD ' ' B' ' 44' ' ' MET . 70.9 t -62.99 -42.3 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 110.507 176.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 9' ' ' ARG . 20.0 tt0 -45.98 -58.29 3.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.474 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.24 -36.9 54.18 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 19' ' ' VAL . 22.5 p -71.56 -33.02 68.74 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.249 0.547 . . . . 0.0 110.169 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.779 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 0.5 OUTLIER -62.25 -49.54 75.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.582 172.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.814 ' HG2' ' HE2' ' A' ' 28' ' ' LYS . 35.0 tt0 -70.7 -36.9 73.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.528 -177.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' HE3' ' A' ' 29' ' ' LYS . 27.4 tt0 -52.09 -43.04 63.71 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.186 0.517 . . . . 0.0 110.249 171.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -61.02 -37.77 83.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.271 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -82.42 -21.54 35.68 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.24 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.814 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 63.9 mttm -69.73 -48.92 57.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.031 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HE3' ' HG3' ' A' ' 25' ' ' GLU . 92.4 mttt -87.41 -16.97 33.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.627 -176.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -139.59 81.24 20.3 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.83 -32.22 67.1 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.977 2.451 . . . . 0.0 112.418 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -75.13 -19.07 60.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.237 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.27 130.84 53.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 p -94.59 -168.89 1.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.15 157.39 40.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 38.9 m-80 -86.51 116.45 24.65 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.631 ' HE2' HD12 ' B' ' 50' ' ' ILE . 47.8 m-85 -44.77 -60.36 2.07 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.747 0.654 . . . . 0.0 112.187 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -64.97 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 -174.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 9.4 mm-40 -79.93 -51.87 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -60.91 -37.58 82.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.539 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -64.82 -50.91 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.712 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.6 ptpp? -61.2 -48.68 80.42 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -66.18 -45.14 81.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.101 -175.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.612 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 97.6 m -64.98 -35.31 80.77 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.441 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 32.8 t -65.17 -40.85 94.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.902 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.632 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 46.3 mt-10 -58.24 -45.02 88.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.006 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 51' ' ' MET . 70.5 ttt180 -66.38 -42.78 87.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.384 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -57.46 -49.65 75.57 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.585 0.231 . . . . 0.0 111.401 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 45' ' ' SER . 43.4 mttp -63.46 -23.31 67.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -112.98 17.93 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 0.0 111.658 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 52.1 ttp -103.15 156.82 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.849 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -64.02 145.56 55.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.505 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.9 -19.56 60.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -63.2 -45.55 91.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 2.2 mp0 -63.39 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 176.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.97 -47.51 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.272 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -29.85 75.48 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.095 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 33.3 ttpt -62.93 -44.52 95.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.502 175.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.28 -35.56 80.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 110.627 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.77 -42.45 97.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.206 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.98 -28.07 64.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.457 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.713 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . . . -61.23 -41.93 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 109.839 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HZ1' ' HB3' ' A' ' 64' ' ' LYS . 8.6 mtpm? -65.38 -31.51 72.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.412 176.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.22 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.17 -34.51 77.69 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 1.5 tmtp? -57.7 -46.5 84.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.228 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . . . -70.95 -36.77 72.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 110.744 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -66.17 -42.64 88.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 24.6 t80 -49.28 -46.59 46.58 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.07 0.948 . . . . 0.0 110.556 174.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 45.8 mt-10 -51.89 -54.05 33.72 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.152 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 3.9 mpt_? -79.43 -32.72 42.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -176.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' HG2' ' HD3' ' A' ' 8' ' ' PRO . 6.6 tp10 -61.68 -47.63 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.297 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.645 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 25.3 mmt -70.36 -28.23 64.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.432 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -79.77 -24.83 41.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.65 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.5 p -93.87 -8.87 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 110.698 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.568 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -91.56 115.05 27.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.189 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 78' ' ' ILE . 3.5 mp -95.61 103.22 12.04 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 77' ' ' TYR . 9.3 Cg_endo -85.78 151.21 9.96 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.998 2.465 . . . . 0.0 111.975 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.14 134.12 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.475 2.116 . . . . 0.0 110.628 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -66.33 107.52 2.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.9 41.97 0.23 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 1.8 mp0 . . . . . 0 C--O 1.235 0.313 0 C-N-CA 123.066 0.546 . . . . 0.0 111.701 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -96.58 -15.03 21.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 61.47 26.75 16.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.181 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.14 -70.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.989 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.5 p -92.27 18.75 7.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.929 0.395 . . . . 0.0 111.556 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -58.83 -37.58 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.132 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' ' HE2' ' B' ' 24' ' ' LYS . 16.4 m -73.95 -23.17 59.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.656 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 4.5 m-20 -91.05 -11.64 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.661 0.267 . . . . 0.0 111.08 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 18' ' ' THR . 95.8 mt -62.68 -38.31 89.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.268 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.437 ' C ' ' H ' ' B' ' 25' ' ' LEU . 59.6 p-90 -92.72 -0.2 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.811 -174.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' B' ' 21' ' ' ASP . 61.6 mttm -75.18 19.83 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 111.921 -175.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' B' ' 23' ' ' TRP . 93.3 mt -80.79 -27.87 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.186 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.9 pp -96.14 145.34 29.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 2.0 Cg_endo -81.95 92.84 0.96 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.241 1.961 . . . . 0.0 113.549 -174.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -173.78 46.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.898 165.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 9.7 p30 -130.44 -44.1 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.287 -177.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 7.0 t30 167.42 -35.13 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.188 -175.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t 70.29 100.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.026 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.16 76.55 9.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.352 0.596 . . . . 0.0 109.649 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -77.46 116.0 54.16 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.775 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -87.47 -173.65 1.1 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.947 2.432 . . . . 0.0 112.512 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.448 HD12 ' HD2' ' B' ' 36' ' ' PRO . 19.9 tp -78.59 130.12 72.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.448 ' HD2' HD12 ' B' ' 35' ' ' LEU . 10.5 Cg_endo -58.31 108.89 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.452 2.101 . . . . 0.0 111.399 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -112.82 25.68 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.294 -171.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -72.24 -22.91 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.82 139.5 38.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' B' ' 43' ' ' LEU . 49.2 ttm -112.68 -37.53 4.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.317 0.58 . . . . 0.0 110.037 175.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.0 -46.75 67.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.382 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -88.73 25.77 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.079 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' B' ' 40' ' ' MET . 0.5 OUTLIER -63.75 -38.35 90.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.323 -177.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.536 ' SD ' HG21 ' A' ' 19' ' ' VAL . 14.7 mtm -131.54 -71.75 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 16' ' ' ALA . 41.3 mt -89.11 103.46 16.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.455 ' O ' HG12 ' B' ' 50' ' ' ILE . 74.9 m -71.73 110.82 8.47 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.355 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.421 ' HA ' HD12 ' B' ' 50' ' ' ILE . 87.1 Cg_exo -46.78 -34.12 15.21 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.559 3.506 . . . . 0.0 114.791 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -71.01 -41.73 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.66 -33.23 14.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.373 -174.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.724 HD11 ' CD2' ' B' ' 54' ' ' PHE . 22.6 pt -73.87 -17.74 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.408 -177.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -48.31 -37.63 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.142 0.901 . . . . 0.0 112.184 -170.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.625 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 19.4 pt20 -59.22 -25.18 63.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.625 ' CD1' ' HG3' ' B' ' 52' ' ' GLN . 7.3 p-90 -131.19 -18.59 2.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.779 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 1.8 t80 -77.75 -50.78 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -108.62 145.37 35.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.961 -170.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.742 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 66.8 mt-10 -68.41 128.71 37.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.46 132.58 85.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.36 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.29 -16.44 51.65 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.623 2.882 . . . . 0.0 114.047 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.11 106.33 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.088 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo . . . . . 0 C--O 1.246 0.885 0 C-N-CA 123.31 2.673 . . . . 0.0 111.667 177.756 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -164.27 -0.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 110.994 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.28 -153.35 30.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.462 -175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.21 125.84 34.0 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.47 15.39 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.923 2.415 . . . . 0.0 113.722 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -121.0 27.16 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.356 0.598 . . . . 0.0 110.412 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -90.35 116.49 66.5 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.163 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HG2' ' HE3' ' A' ' 74' ' ' MET . 73.2 Cg_endo -90.1 154.22 4.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.914 2.41 . . . . 0.0 111.129 173.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.667 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 2.8 mtm180 -83.24 -25.7 31.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.298 0.57 . . . . 0.0 110.954 -178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.629 ' HA2' ' CD1' ' A' ' 70' ' ' TYR . . . 116.87 -136.24 12.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.709 173.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -92.64 22.69 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.023 0.439 . . . . 0.0 110.513 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.667 ' SD ' ' HB3' ' A' ' 9' ' ' ARG . 76.9 mtp -59.95 112.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 13.3 t -84.66 -173.5 4.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.441 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 7.3 p -52.88 -39.47 62.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.479 0.712 . . . . 0.0 112.653 -172.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.6 -63.77 1.18 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.96 0.41 . . . . 0.0 110.707 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' HD21 ' B' ' 45' ' ' LEU . . . -67.87 -28.46 67.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 111.066 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -70.58 -37.89 74.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.023 -178.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -46.78 70.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.305 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -63.57 -53.58 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.049 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.764 HE22 ' HB2' ' B' ' 54' ' ' PHE . 5.5 tp-100 -58.9 -45.83 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.982 -173.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.555 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 12.4 t -62.07 -32.4 72.93 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.2 -176.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.23 -37.85 18.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.433 0.635 . . . . 0.0 110.382 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.631 ' HE ' HG21 ' A' ' 35' ' ' VAL . 19.2 ttt180 -66.23 -49.36 67.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.641 -177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 29.4 tt0 -73.05 -31.83 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' A' ' 21' ' ' THR . 9.7 tp10 -57.56 -49.36 76.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.317 0.579 . . . . 0.0 109.756 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -66.37 -29.37 69.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.257 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -71.22 -38.52 72.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.917 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 34.8 mmtp -71.09 -51.16 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.067 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 54.1 mtmt -70.76 -27.37 63.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -177.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -130.78 90.77 39.08 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 0.0 111.094 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -67.47 -26.87 40.19 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.632 2.221 . . . . 0.0 110.561 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -72.92 -19.36 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.443 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.67 117.54 34.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.029 0.443 . . . . 0.0 111.696 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -97.68 160.61 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.115 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG21 ' HE ' ' A' ' 23' ' ' ARG . 5.5 m -123.33 145.64 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -80.86 136.35 36.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -58.63 -56.15 25.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.216 -173.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 24.9 m -73.55 -46.08 49.6 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.116 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -54.64 -56.7 16.34 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.051 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.31 -40.1 89.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.551 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -72.3 -26.29 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 38' ' ' SER . 98.4 mttt -56.6 -68.26 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.662 0.744 . . . . 0.0 110.323 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -69.52 -25.6 64.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.076 -173.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.6 m -72.2 -34.84 68.69 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.994 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.754 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 19.6 t -61.77 -52.95 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.7 -37.74 76.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' O ' ' HB2' ' A' ' 51' ' ' MET . 66.0 ttt180 -58.16 -51.73 68.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.937 176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -56.08 -42.77 77.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.012 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.754 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.2 mttt -66.03 -19.19 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.149 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -126.46 18.5 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.66 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 38.7 ttp -93.24 151.62 19.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.01 0.433 . . . . 0.0 111.557 -172.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -61.97 149.78 39.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.759 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.97 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.732 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -56.3 -50.6 70.96 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.633 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.59 -48.79 80.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.344 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -56.93 -50.47 72.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.345 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.69 -40.27 94.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.001 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -60.24 -48.39 81.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.15 -37.13 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.532 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 36.0 tt0 -65.93 -35.35 80.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.604 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.74 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 14.4 t70 -69.65 -45.08 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.75 -29.34 69.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.18 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.276 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.74 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 55.4 pttt -60.94 -31.26 70.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 110.163 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -64.23 -58.98 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.115 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' HA ' ' HB2' ' A' ' 69' ' ' ARG . 3.6 t70 -69.2 -26.25 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 5.6 tmtm? -61.69 -46.57 89.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.679 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.56 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB2' ' HA ' ' A' ' 66' ' ' ASP . 96.9 mtt180 -71.53 -31.19 66.76 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.864 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.629 ' CD1' ' HA2' ' A' ' 10' ' ' GLY . 35.6 t80 -58.07 -41.25 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 109.674 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -59.55 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -67.83 -41.95 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.42 -173.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.97 -47.78 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.805 ' HA ' ' HB3' ' A' ' 77' ' ' TYR . 26.9 ttm -70.17 -11.29 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.488 . . . . 0.0 110.391 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.21 -35.7 76.01 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.637 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.6 p -108.13 -17.83 13.93 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.693 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.805 ' HB3' ' HA ' ' A' ' 74' ' ' MET . 58.1 t80 -87.56 125.28 34.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.05 110.69 62.2 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.151 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -57.16 132.46 51.44 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.471 2.114 . . . . 0.0 111.315 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.15 129.4 35.07 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.902 2.401 . . . . 0.0 112.526 -177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -75.21 98.34 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.64 161.25 8.65 Favored Glycine 0 N--CA 1.435 -1.423 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.79 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' B' ' 17' ' ' GLU . 5.1 mp . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -43.98 53.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 26.3 pt20 -130.16 70.75 1.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 175.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.809 ' HG3' ' H ' ' B' ' 18' ' ' THR . 6.5 pt-20 -62.89 -69.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.318 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.809 ' H ' ' HG3' ' B' ' 17' ' ' GLU . 28.1 p -107.05 -4.6 18.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.385 0.612 . . . . 0.0 110.563 176.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.458 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 96.1 m-85 -67.34 -23.17 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.71 -173.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 p -75.86 -27.22 57.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.28 0.562 . . . . 0.0 110.947 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.28 -4.45 29.28 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.324 -174.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' B' ' 19' ' ' PHE . 90.6 mt -59.44 -39.76 84.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -87.42 -9.64 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.332 0.587 . . . . 0.0 109.999 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -93.62 24.44 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.931 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.12 -18.15 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.138 0.494 . . . . 0.0 110.442 176.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.505 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.9 OUTLIER -80.97 138.41 49.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.768 173.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.6 Cg_exo -75.0 94.97 0.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.246 1.964 . . . . 0.0 111.697 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -142.1 169.21 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.573 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 28.6 p-10 -69.15 -37.55 78.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 57.1 t30 163.22 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.707 0.803 . . . . 0.0 109.192 -173.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t 76.06 87.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.448 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' B' ' 34' ' ' PRO . 90.7 mt -116.06 22.3 13.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.691 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.9 t -108.88 98.91 32.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.363 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' B' ' 32' ' ' LEU . 87.1 Cg_endo -92.84 162.0 2.73 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.811 2.34 . . . . 0.0 111.967 176.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.8 tp -97.98 108.69 47.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 120.62 7.57 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.636 2.224 . . . . 0.0 111.707 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.3 p -89.6 -34.55 16.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.222 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -110.63 -70.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.582 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.88 175.05 8.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.379 0.609 . . . . 0.0 112.389 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.476 ' HE2' ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -113.99 30.62 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.44 177.039 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' B' ' 46' ' ' SER . 3.7 p30 -54.14 -12.8 0.68 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.502 -175.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.51 -33.04 74.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.329 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' B' ' 40' ' ' MET . 3.9 mm? -62.7 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -168.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 35.0 mtm -137.97 -73.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 16' ' ' ALA . 23.3 mt -96.01 97.5 9.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.568 ' O ' HG13 ' B' ' 50' ' ' ILE . 9.8 m -63.41 116.26 24.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.213 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 88.4 Cg_exo -47.7 -40.02 30.87 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.779 2.986 . . . . 0.0 113.81 -176.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.24 -40.96 87.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.8 -25.07 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.444 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 46' ' ' SER . 16.0 mt -47.43 -44.15 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.06 -15.73 15.19 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.15 -27.14 26.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.667 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.434 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -127.99 -60.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.988 -174.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.764 ' HB2' HE22 ' A' ' 20' ' ' GLN . 0.1 OUTLIER -79.35 107.77 12.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.708 . . . . 0.0 109.237 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 8.3 p -123.25 117.96 26.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.969 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -91.61 145.27 24.73 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -138.61 145.08 44.84 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -90.82 25.87 0.5 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.21 2.607 . . . . 0.0 113.195 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' B' ' 60' ' ' PRO . . . 98.31 116.34 3.61 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.218 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.408 ' HD3' ' HA2' ' B' ' 59' ' ' GLY . 9.4 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 123.559 2.84 . . . . 0.0 111.923 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -122.22 109.91 15.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.12 5.92 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.881 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -78.15 115.85 54.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.1 14.27 2.41 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.598 2.199 . . . . 0.0 113.126 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB2' ' HH ' ' A' ' 77' ' ' TYR . 65.9 mttm -119.78 21.35 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.306 0.574 . . . . 0.0 110.575 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' HB3' ' HD2' ' A' ' 8' ' ' PRO . 86.7 mttt -91.98 167.93 14.11 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.124 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 7' ' ' LYS . 53.3 Cg_exo -54.47 174.21 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.064 2.509 . . . . 0.0 113.366 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -68.28 -47.87 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.465 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.41 162.72 11.84 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.36 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HB3' ' HZ2' ' A' ' 11' ' ' LYS . 9.1 mtpm? -96.03 24.84 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.243 0.617 . . . . 0.0 110.643 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.476 ' HE3' HD22 ' B' ' 45' ' ' LEU . 19.9 mtm -55.01 156.94 3.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.224 -173.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -82.74 -179.13 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' A' ' 60' ' ' GLU . 4.8 m -56.19 -43.51 78.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.223 -173.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.425 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.53 -43.56 75.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -177.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' B' ' 44' ' ' MET . . . -77.2 -36.3 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.38 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -36.61 84.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.573 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 59' ' ' PHE . 39.9 t80 -55.75 -53.63 54.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.862 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG23 ' SD ' ' B' ' 44' ' ' MET . 4.7 t -68.47 -32.5 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.985 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.5 -56.07 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.381 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 10.1 t -61.93 -37.05 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.716 -173.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 p -78.19 -37.9 44.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.791 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.021 0.438 . . . . 0.0 110.356 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.45 -29.12 61.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 21' ' ' THR . 6.7 tp10 -60.87 -42.44 97.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.356 0.598 . . . . 0.0 109.964 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -76.06 -25.24 55.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.498 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -79.96 -27.4 39.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -74.39 -45.72 44.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.711 0.291 . . . . 0.0 110.683 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -77.45 -21.82 52.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.838 0.352 . . . . 0.0 111.577 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -136.08 88.36 22.14 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.551 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.15 -16.84 49.89 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.663 2.242 . . . . 0.0 111.081 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -86.08 -26.56 25.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.717 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.79 91.67 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 t -83.22 125.06 31.15 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 m -72.71 141.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.216 0.531 . . . . 0.0 110.792 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 38.8 t30 -79.12 138.25 37.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.891 175.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.801 ' HE2' HD12 ' B' ' 50' ' ' ILE . 58.1 m-85 -59.82 -42.99 94.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.658 0.266 . . . . 0.0 111.163 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.443 ' HB2' ' ND2' ' A' ' 36' ' ' ASN . 13.4 m -61.39 -45.75 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.534 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 36' ' ' ASN . 8.3 pt-20 -69.15 -48.0 63.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -172.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 6.8 t80 -78.04 -53.53 7.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.371 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' B' ' 41' ' ' ASP . 71.0 m -55.54 -44.2 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.396 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -59.89 -56.76 17.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.657 0.265 . . . . 0.0 111.177 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 56.2 pttt -69.73 -35.86 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.674 -175.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.24 -29.06 64.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.452 0.168 . . . . 0.0 111.452 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.729 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 66.7 m -58.3 -58.43 8.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -66.3 -33.23 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.715 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.593 ' O ' ' HG3' ' A' ' 51' ' ' MET . 77.4 ttt180 -57.88 -50.23 74.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.701 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -63.65 -42.36 98.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.729 ' HG3' ' O ' ' A' ' 45' ' ' SER . 62.9 mttm -62.63 -21.44 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.593 -174.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -104.38 7.31 35.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 82.9 mtp -88.27 159.29 18.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.692 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -86.75 158.13 19.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.98 70.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.114 -0.493 . . . . 0.0 112.26 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -62.81 -44.28 96.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.093 0.473 . . . . 0.0 111.078 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.67 -35.71 60.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -62.35 -35.25 78.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.068 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.03 76.89 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.359 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -63.2 -46.43 87.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 96.4 m-85 -72.41 -25.11 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.828 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HA ' ' HG ' ' A' ' 14' ' ' SER . 41.1 tt0 -74.14 -37.26 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.887 174.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 20.7 t70 -66.53 -46.66 75.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.042 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 59' ' ' PHE . 24.1 ptp -63.72 -26.35 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.23 -46.84 31.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.57 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 21.4 pttp -72.13 -24.83 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 110.597 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.43 74.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.402 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -55.49 -47.02 76.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.491 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -65.23 -37.96 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.527 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.35 -47.5 79.1 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -53.14 -48.26 68.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 123.634 0.584 . . . . 0.0 110.952 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 8.6 mm-40 -57.58 -53.4 58.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.164 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 28.3 mmt180 -68.77 -32.93 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.541 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.05 -55.33 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.499 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -73.68 -13.25 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.29 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 66.2 mmtt -70.66 -27.61 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.046 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 t -115.1 -46.51 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.882 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.401 ' HH ' ' HB2' ' A' ' 6' ' ' LYS . 49.6 t80 44.46 111.77 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.399 1.079 . . . . 0.0 113.261 -176.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.427 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.0 mp -97.78 110.9 57.33 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.63 113.25 0.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.626 2.217 . . . . 0.0 112.22 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 169.05 22.44 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.696 2.264 . . . . 0.0 111.798 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -76.99 75.87 3.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 110.992 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.13 51.5 0.61 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 174.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 114.918 -0.641 . . . . 0.0 111.216 -171.45 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -80.11 -17.08 53.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -129.63 128.38 42.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.227 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.27 -10.75 59.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.329 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.434 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 4.9 m -56.17 -34.04 65.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.66 0.266 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.21 -30.97 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 0.0 111.082 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -86.17 -3.0 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.395 0.617 . . . . 0.0 110.028 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -100.9 -11.05 20.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.829 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 18' ' ' THR . 87.2 mt -66.74 -42.95 85.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.403 -173.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.437 ' C ' ' H ' ' B' ' 25' ' ' LEU . 47.0 p-90 -76.92 -0.54 24.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.97 26.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.435 . . . . 0.0 111.599 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' B' ' 23' ' ' TRP . 86.3 mt -75.44 -18.94 59.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.109 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.496 ' O ' HD12 ' B' ' 26' ' ' LEU . 2.1 pp -102.85 128.19 28.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.7 Cg_exo -79.12 94.33 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.605 2.203 . . . . 0.0 112.942 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 179.55 -166.26 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 170.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -102.72 -63.54 1.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -169.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -125.53 15.54 8.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.382 -169.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t 65.21 81.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.77 0.795 . . . . 0.0 110.632 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.0 mt -119.5 35.7 4.75 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.585 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -59.04 127.96 84.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.607 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.19 -173.08 1.63 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.169 2.579 . . . . 0.0 112.278 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.431 HD11 ' HD2' ' B' ' 36' ' ' PRO . 52.7 tp -55.26 120.42 30.32 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.504 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.431 ' HD2' HD11 ' B' ' 35' ' ' LEU . 48.4 Cg_exo -57.9 120.3 8.12 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.97 2.446 . . . . 0.0 112.222 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 21.3 t -83.15 41.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.402 0.62 . . . . 0.0 110.237 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -71.89 -40.82 68.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.768 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.59 96.58 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.606 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.747 ' HG3' ' H ' ' B' ' 41' ' ' ASP . 21.0 ptt? -123.79 -71.87 0.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.747 ' H ' ' HG3' ' B' ' 40' ' ' MET . 21.2 m-20 -120.65 11.58 11.28 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.429 0.633 . . . . 0.0 110.345 -176.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -78.69 35.2 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.827 0.823 . . . . 0.0 110.096 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 41' ' ' ASP . 6.7 mt -66.84 -38.09 85.72 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.728 -171.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.523 ' SD ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.69 -70.66 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.567 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.599 ' HB3' HG22 ' B' ' 50' ' ' ILE . 39.6 mt -88.22 88.88 7.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.653 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.43 ' O ' HG12 ' B' ' 50' ' ' ILE . 23.9 m -81.33 132.79 54.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.489 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -43.03 -44.53 9.47 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.221 3.281 . . . . 0.0 115.081 -171.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.03 -48.45 73.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.495 0.664 . . . . 0.0 111.109 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.801 HD12 ' HE2' ' A' ' 37' ' ' PHE . 21.1 pt -91.71 -9.01 10.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.752 -171.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.493 ' HG3' ' HB ' ' B' ' 55' ' ' THR . 36.2 tt0 -61.92 -6.32 2.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.345 0.593 . . . . 0.0 111.44 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.613 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 7.7 mt-30 -77.46 -34.87 54.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.164 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.613 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -130.97 -44.87 1.04 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.099 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.526 ' CG ' HD11 ' B' ' 50' ' ' ILE . 0.3 OUTLIER -67.27 -60.03 2.93 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.493 ' HB ' ' HG3' ' B' ' 51' ' ' GLU . 1.7 m -75.64 142.24 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.265 -173.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.45 161.86 20.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.121 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.65 135.55 94.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.326 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.51 -13.57 34.09 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.454 2.77 . . . . 0.0 113.543 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 -150.83 8.06 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 C--O 1.249 1.05 0 C-N-CA 122.936 2.424 . . . . 0.0 111.618 178.717 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.244 -0.343 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -91.45 -77.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.028 0.442 . . . . 0.0 110.448 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.06 156.03 15.84 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.631 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 23.3 t70 -152.79 130.59 6.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 6.3 Cg_exo -73.69 -3.68 14.14 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.938 2.425 . . . . 0.0 113.356 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -110.8 11.22 22.53 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.772 0.796 . . . . 0.0 109.875 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -93.88 115.07 64.66 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.035 174.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 3.2 Cg_exo -70.9 168.3 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.608 2.205 . . . . 0.0 111.692 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 25.2 ttm105 -67.66 -26.79 66.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.542 . . . . 0.0 110.06 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 70' ' ' TYR . . . 116.59 -135.74 12.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.717 170.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HE2' ' HG3' ' A' ' 67' ' ' LYS . 16.3 ptpt -130.94 24.93 4.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.081 -174.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.405 ' SD ' ' HG2' ' A' ' 9' ' ' ARG . 62.7 mtp -32.14 126.93 0.25 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.75 1.281 . . . . 0.0 112.666 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -66.95 169.99 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.299 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 p -54.81 -39.09 68.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.719 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.443 ' O ' HG21 ' A' ' 19' ' ' VAL . 1.1 t80 -57.22 -48.24 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.405 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.693 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -76.37 -29.5 57.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 110.538 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.419 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 42.3 t80 -55.04 -47.41 74.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.319 173.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 15' ' ' TYR . 2.6 t -68.08 -40.5 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.462 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.71 -56.72 17.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 HG23 ' HE1' ' A' ' 59' ' ' PHE . 7.8 t -62.34 -37.0 83.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.161 0.288 . . . . 0.0 111.614 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.3 m -72.78 -43.74 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.362 0.601 . . . . 0.0 110.358 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.703 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 19.3 ttp85 -67.63 -54.8 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.923 -177.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.783 ' HG2' ' HE3' ' A' ' 28' ' ' LYS . 33.0 tt0 -74.78 -37.57 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.084 -167.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.67 -39.32 94.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.678 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -62.17 -31.69 72.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.92 -38.18 37.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.783 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 96.6 mttt -71.35 -36.18 71.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.92 -23.05 31.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -139.84 83.9 15.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.33 -38.86 32.36 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.611 2.208 . . . . 0.0 111.759 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.86 -26.57 66.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.454 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.35 105.82 12.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.423 ' HG ' ' CD ' ' B' ' 56' ' ' GLU . 51.2 m -89.7 137.91 31.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 m -88.37 155.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 43.6 m-80 -88.64 116.16 26.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -52.41 -59.59 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -64.05 -35.48 80.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.355 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 20.5 mm-40 -67.94 -47.65 68.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.92 -53.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.324 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -61.55 -36.24 80.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -63.06 -55.15 27.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.418 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.83 -35.12 72.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.336 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 84.5 m -73.25 -27.89 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.567 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 91.6 p -64.64 -50.6 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.63 -37.73 88.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.589 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -55.66 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.692 175.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.411 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 47.4 t-105 -52.97 -53.38 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' SER . 94.0 mttt -63.5 -30.54 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.936 -172.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.7 p -96.81 2.72 52.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.589 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 50.6 mtm -75.02 168.73 19.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.324 175.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 p -83.63 161.85 20.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.05 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.595 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -67.86 -32.75 73.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.02 -46.89 27.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.84 -39.13 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.786 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.57 -36.94 93.36 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.5 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -58.95 -50.87 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' HE1' HG23 ' A' ' 21' ' ' THR . 94.0 m-85 -65.69 -31.24 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.925 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.689 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 35.2 tt0 -69.21 -40.47 77.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.485 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 28.9 t70 -70.79 -27.28 63.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.91 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtm -77.52 -33.03 54.42 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.092 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.86 -48.08 69.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.037 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 18.7 ptmt -61.62 -34.01 74.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.503 177.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.88 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.643 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 13.2 t0 -66.8 -42.55 85.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 36.8 ttpt -56.14 -42.45 76.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.671 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -62.45 -49.68 74.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.384 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 66' ' ' ASP . 34.4 ptt180 -66.34 -30.23 70.58 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.236 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.409 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 87.1 t80 -66.11 -50.63 63.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.45 174.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 17.8 mm-40 -56.03 -37.58 69.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.831 0.452 . . . . 0.0 110.649 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 24.6 mmt180 -57.78 -54.17 49.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.01 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.8 -15.71 47.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.457 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.495 ' HE1' ' HA ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -67.48 -28.83 68.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 0.0 110.066 176.132 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 3.7 mmmp? -67.58 -30.85 70.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.229 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 p -99.52 -37.38 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.853 0.358 . . . . 0.0 111.701 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -88.74 109.13 19.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.112 0.482 . . . . 0.0 110.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.22 106.07 57.72 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 73.1 Cg_exo -48.79 134.1 27.88 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.331 2.688 . . . . 0.0 113.33 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 23.4 Cg_exo -64.24 144.32 86.09 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.269 2.646 . . . . 0.0 112.071 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -105.26 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.483 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.11 39.55 0.55 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.934 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.643 0.259 . . . . 0.0 110.332 -178.808 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.777 0.322 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -62.54 -15.99 53.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 111.055 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -65.39 -13.32 58.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.09 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.04 -26.52 67.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -89.49 -40.55 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.134 0.492 . . . . 0.0 110.219 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -67.27 -28.28 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.5 p -64.3 -35.88 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.49 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 0.1 OUTLIER -83.62 -5.11 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.786 0.327 . . . . 0.0 111.275 -176.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.87 -27.49 63.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.534 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 67.0 p-90 -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.716 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 51.0 mtpt -76.38 20.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 111.781 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.418 ' H ' ' C ' ' B' ' 23' ' ' TRP . 89.0 mt -82.3 -18.79 41.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 109.879 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 23' ' ' TRP . 2.6 pp -81.08 154.29 72.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.012 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.22 95.07 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.095 1.863 . . . . 0.0 111.242 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -143.93 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.714 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -52.31 -48.02 65.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.687 0.28 . . . . 0.0 110.305 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.431 ' O ' ' HB ' ' B' ' 31' ' ' VAL . 8.5 t30 -179.5 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.636 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' B' ' 30' ' ' ASN . 86.2 t 74.29 94.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.327 0.584 . . . . 0.0 109.965 -171.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -105.7 119.4 39.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.464 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -95.36 123.98 54.95 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.18 118.45 4.59 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.85 2.366 . . . . 0.0 112.306 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 tp -156.44 108.28 2.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.34 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.38 117.63 4.1 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.485 2.124 . . . . 0.0 112.458 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.8 m -83.96 -16.09 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -97.88 9.68 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . 68.76 170.38 0.29 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.876 0.735 . . . . 0.0 110.969 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' ASP . 37.3 ttp -130.95 -2.11 4.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' B' ' 43' ' ' LEU . 44.2 m-20 17.04 21.05 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 -170.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' B' ' 40' ' ' MET . 10.2 p-10 -71.41 27.15 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.354 0.662 . . . . 0.0 112.146 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 41' ' ' ASP . 91.9 mt -61.83 -35.31 77.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.662 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.693 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -130.34 -71.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.161 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.479 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 10.9 mt -92.45 109.75 21.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.335 -174.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.437 ' O ' HG13 ' B' ' 50' ' ' ILE . 6.1 p -70.82 128.54 90.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.888 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.425 ' HA ' HD12 ' B' ' 50' ' ' ILE . 52.1 Cg_exo -56.58 -25.06 57.13 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.207 2.605 . . . . 0.0 112.632 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.99 -45.06 95.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -94.88 -22.92 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.312 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 46' ' ' SER . 3.6 mt -47.61 -41.81 8.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.878 -1.056 . . . . 0.0 113.586 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.84 -5.92 3.27 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -97.46 -40.57 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -130.7 -16.33 3.37 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -170.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.703 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 1.6 t80 -89.77 -35.59 15.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -173.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 25.3 p -89.47 -177.57 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.98 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.423 ' CD ' ' HG ' ' A' ' 34' ' ' SER . 4.9 mp0 -72.0 159.52 34.07 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.958 0.409 . . . . 0.0 110.903 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -138.87 139.06 22.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.84 -24.59 76.56 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.35 2.7 . . . . 0.0 113.101 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.38 122.78 5.83 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.884 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.702 2.268 . . . . 0.0 112.256 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 CA--C 1.53 0.3 0 N-CA-C 111.516 -0.225 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -47.84 -49.73 28.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.74 -176.99 17.51 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.443 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -106.15 22.41 15.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.464 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 43.7 mtm -51.46 145.3 8.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.446 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.33 167.49 12.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.554 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.705 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 22.1 p -54.67 -31.18 57.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.02 0.438 . . . . 0.0 111.429 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -48.91 71.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.978 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -74.06 -30.23 62.29 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.57 -32.59 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 57.4 t80 -58.41 -50.97 71.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.258 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.44 -43.1 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -58.63 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.748 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -66.66 -33.31 75.37 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.045 0.216 . . . . 0.0 111.37 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.5 t -75.97 -45.87 32.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.624 0.25 . . . . 0.0 110.999 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.817 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -65.74 -31.34 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.817 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 28.2 tt0 -77.61 -45.22 25.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.831 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.564 ' HG3' ' HE2' ' A' ' 29' ' ' LYS . 3.4 tp10 -54.51 -41.5 69.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -66.98 -35.3 79.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.215 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 8.1 tmtm? -78.68 -28.17 45.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.873 0.368 . . . . 0.0 110.293 -175.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.557 ' HD2' ' HG2' ' A' ' 24' ' ' GLU . 42.3 mtpt -70.94 -44.36 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 51.0 mttm -69.47 -35.89 76.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -123.0 88.77 50.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.96 -14.04 40.04 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.819 2.346 . . . . 0.0 111.103 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -85.27 -10.96 55.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.615 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.19 159.72 17.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.937 0.875 . . . . 0.0 112.718 -171.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 t -135.64 -164.01 1.48 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 170.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.88 167.59 25.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 76.6 m-20 -93.9 120.92 34.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -52.96 -55.6 22.26 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.555 0.534 . . . . 0.0 112.186 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.2 m -63.59 -39.61 94.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 67.0 mm-40 -65.1 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.401 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.07 -41.5 92.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.545 -171.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -66.87 -33.78 76.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.644 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -72.24 -45.14 61.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 49.1 mttm -58.26 -45.45 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.139 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.81 -41.67 95.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.158 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.682 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 41.6 t -54.74 -56.42 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.2 -42.33 93.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.104 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -65.68 -43.48 89.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.072 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.0 t-105 -56.47 -50.5 71.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.25 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' ' 45' ' ' SER . 55.8 mttm -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.862 -174.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -84.24 -0.21 51.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.8 mtm -83.09 171.77 13.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.876 0.37 . . . . 0.0 111.158 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -90.9 166.58 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.246 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -55.81 -46.31 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.188 0.518 . . . . 0.0 110.737 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 29.2 mt-10 -73.51 -45.16 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.348 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -61.68 -42.72 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.838 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.57 75.61 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.25 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 36.4 ttpt -61.47 -48.37 81.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.257 175.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 93.2 m-85 -67.32 -35.71 79.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.705 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 7.4 tp10 -61.95 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.848 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -62.71 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.818 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.11 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.463 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.44 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.956 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.848 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 9.7 mtmp? -60.85 -39.43 89.12 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 110.647 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.88 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.29 -35.35 58.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.48 -46.12 84.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.844 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.82 82.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.362 . . . . 0.0 111.023 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.9 ttm105 -66.09 -37.45 85.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.95 -47.41 86.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.389 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.646 179.748 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.546 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 98.1 mt-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.499 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -104.56 -25.4 12.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.912 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 99.7 m-85 -65.79 -31.61 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.4 t -81.97 -3.18 53.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.5 -18.12 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 76.6 mt -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.666 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -82.69 -11.26 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.722 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -82.48 25.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.127 0.489 . . . . 0.0 111.719 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -88.04 7.55 30.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.501 0.667 . . . . 0.0 109.557 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.75 158.73 80.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.624 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -66.33 95.76 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 121.808 1.672 . . . . 0.0 111.536 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.661 HD22 ' SD ' ' B' ' 44' ' ' MET . 1.3 tt . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.661 ' SD ' HD22 ' B' ' 43' ' ' LEU . 3.4 mpp? -99.6 -71.34 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.953 -175.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.829 ' HB3' HG21 ' B' ' 50' ' ' ILE . 41.9 mt -94.53 99.0 11.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.857 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.446 ' O ' HG12 ' B' ' 50' ' ' ILE . 8.9 t -76.72 133.98 69.59 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.907 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.431 ' HA ' HG12 ' B' ' 50' ' ' ILE . 36.7 Cg_exo -57.24 -36.18 99.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.644 2.896 . . . . 0.0 114.255 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.78 -49.34 48.83 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -93.09 -41.07 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.829 HG21 ' HB3' ' B' ' 45' ' ' LEU . 45.4 pt -67.32 -32.4 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -166.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.453 ' N ' HG13 ' B' ' 50' ' ' ILE . 31.7 mt-10 -58.24 -17.98 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -167.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.76 -37.64 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.865 0.364 . . . . 0.0 111.02 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -123.07 -29.13 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' B' ' 50' ' ' ILE . 8.2 t80 . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.454 -0.822 0 N-CA-C 110.387 -0.659 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.729 ' HD3' HE22 ' A' ' 20' ' ' GLN . 1.5 ptp180 -65.41 -18.47 65.34 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.855 0.36 . . . . 0.0 110.981 -176.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.27 -168.34 20.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.515 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -108.67 26.16 10.87 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 24.1 mtm -44.59 141.65 1.93 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.844 -177.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -76.41 179.9 5.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.585 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 59' ' ' PHE . 13.1 m -57.92 -25.86 61.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.145 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -61.64 -54.46 42.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.314 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.49 -32.38 73.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 1.4 m-85 -64.76 -36.38 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 21' ' ' THR . 60.1 t80 -54.71 -54.48 41.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 110.621 175.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.47 -42.94 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.729 HE22 ' HD3' ' A' ' 9' ' ' ARG . 25.7 tt0 -64.43 -47.69 78.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.811 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.505 HG21 ' HE1' ' A' ' 59' ' ' PHE . 12.6 t -58.23 -35.56 71.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 p -87.88 -36.68 17.04 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.412 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.666 HH21 ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.64 -42.16 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.122 0.487 . . . . 0.0 110.942 -179.037 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 tp10 -74.88 -45.5 42.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.196 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.55 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 9.6 tp10 -59.97 -28.97 68.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.461 0.648 . . . . 0.0 110.241 176.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -66.0 -40.76 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.286 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.666 ' HD3' HH21 ' A' ' 23' ' ' ARG . 9.9 mtpm? -82.71 -19.98 36.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.006 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 25' ' ' GLU . 29.3 mtpp -64.71 -54.29 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.006 0.431 . . . . 0.0 110.003 173.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HE3' ' HG3' ' A' ' 25' ' ' GLU . 9.5 mtmp? -77.93 -32.93 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.733 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' LYS . 88.6 m-70 -125.99 90.83 49.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.668 0.271 . . . . 0.0 110.49 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.38 -12.75 32.26 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 123.032 2.488 . . . . 0.0 111.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.78 7.1 47.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.161 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.59 89.64 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.163 0.506 . . . . 0.0 112.209 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -84.77 135.05 34.28 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.99 152.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.635 0.255 . . . . 0.0 110.54 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.57 132.15 34.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.31 0.381 . . . . 0.0 111.542 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 p -66.62 -52.49 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.143 0.497 . . . . 0.0 110.722 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.4 -60.13 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.659 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -68.53 -52.44 32.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.046 -169.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -67.38 -36.65 81.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.572 -174.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.04 -48.36 80.61 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.079 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 18.3 ptpt -67.64 -32.88 73.88 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.495 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.74 -40.52 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.644 0.259 . . . . 0.0 110.4 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.676 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 29.2 t -55.25 -52.29 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.865 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.75 -41.0 97.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.117 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 94.5 mtt180 -63.32 -46.25 87.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.281 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -59.16 -46.45 88.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.709 0.29 . . . . 0.0 111.317 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 45' ' ' SER . 42.0 mttm -69.5 -18.86 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -109.99 22.41 15.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.5 ttp -108.15 151.75 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.12 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -68.52 159.5 31.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.058 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -72.15 -24.22 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.54 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.1 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 37.1 mm-40 -67.66 -38.34 83.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.083 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 63.9 mttm -59.46 -43.35 93.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.02 -30.95 79.34 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.972 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 29.3 ttpt -62.33 -44.8 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 0.0 110.388 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.505 ' HE1' HG21 ' A' ' 21' ' ' THR . 61.6 m-85 -70.04 -20.66 63.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.644 ' HG2' ' HE2' ' A' ' 64' ' ' LYS . 39.7 tt0 -71.19 -38.32 72.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.183 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.32 -47.44 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.236 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.433 ' HE3' ' HA ' ' A' ' 59' ' ' PHE . 23.0 ptp -63.63 -31.45 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.56 91.48 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.302 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HE2' ' HG2' ' A' ' 60' ' ' GLU . 66.3 mttm -67.27 -37.53 83.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.99 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.585 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 2.6 m-20 -75.38 -17.57 60.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.379 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.07 -41.09 78.01 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.8 -36.7 84.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 174.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' ASP . 36.3 ttm180 -65.65 -37.15 85.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.391 175.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.37 -48.59 79.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.297 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.434 178.356 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' B' ' 19' ' ' PHE . 95.9 mt-30 . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.86 -68.8 0.16 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.821 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.6 p -85.26 -16.55 39.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 0.0 110.837 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' B' ' 16' ' ' GLN . 83.7 m-85 -69.52 -28.57 66.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.497 -175.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.5 p -80.05 -3.7 49.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.881 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 17.2 t70 -96.91 -18.07 19.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.147 0.498 . . . . 0.0 110.24 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.15 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.043 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -93.25 0.48 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.077 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' B' ' 21' ' ' ASP . 63.5 mttm -80.89 24.92 0.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.054 0.454 . . . . 0.0 111.168 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.43 -23.63 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.945 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.494 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -101.25 109.16 57.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.664 173.807 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.56 95.57 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.385 2.057 . . . . 0.0 112.277 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.803 175.909 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.708 ' HB2' ' SD ' ' B' ' 44' ' ' MET . 60.3 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.742 0.306 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.708 ' SD ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -131.1 -47.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.755 -178.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.746 ' HB3' HG21 ' B' ' 50' ' ' ILE . 16.0 mt -97.44 100.5 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 m -95.03 139.53 22.11 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.418 -173.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' B' ' 50' ' ' ILE . 97.4 Cg_exo -45.21 -30.91 5.53 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.001 3.134 . . . . 0.0 112.828 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.8 -49.21 29.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.01 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -102.01 -41.76 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.225 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 1.064 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 29.7 pt -64.76 -25.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -166.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.98 -5.94 5.37 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.506 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 26.7 mm-40 -86.54 -28.15 23.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -131.85 -52.4 0.98 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.935 -173.827 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 1.064 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 N--CA 1.46 -0.469 0 N-CA-C 110.78 -0.508 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.855 ' HD2' HE21 ' A' ' 20' ' ' GLN . 34.0 ttm180 -86.86 24.19 1.55 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -164.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.13 -173.71 39.67 Favored Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.201 -0.999 . . . . 0.0 114.044 170.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -115.23 25.72 10.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.021 -0.589 . . . . 0.0 109.988 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.8 mtm -44.45 153.67 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -70.6 163.25 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.191 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -56.65 -35.74 68.71 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.914 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -48.13 74.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.47 0.652 . . . . 0.0 109.89 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.91 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -65.84 -38.32 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.482 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 66' ' ' ASP . 5.7 m-85 -59.99 -41.21 91.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.48 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.403 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 21.4 t80 -52.18 -57.53 9.36 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.523 0.514 . . . . 0.0 111.064 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG13 ' CE1' ' A' ' 40' ' ' PHE . 78.6 t -65.4 -40.72 89.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.855 HE21 ' HD2' ' A' ' 9' ' ' ARG . 49.6 tt0 -58.46 -52.28 66.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.576 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -63.19 -40.23 96.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.701 0.286 . . . . 0.0 111.115 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 m -72.44 -23.31 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.456 0.646 . . . . 0.0 110.137 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.941 ' HD3' ' HA ' ' B' ' 54' ' ' PHE . 47.1 ttm-85 -80.92 -56.08 4.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.714 -175.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 17.7 tt0 -67.93 -36.16 79.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.252 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.05 -42.72 81.05 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.779 0.8 . . . . 0.0 109.39 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -44.45 96.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.145 175.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.263 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.1 mmtt -53.23 -41.81 65.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.868 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -94.44 -23.51 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -130.91 89.11 43.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.22 -30.42 4.28 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.103 2.535 . . . . 0.0 113.578 -174.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.42 16.34 26.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.921 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.63 159.97 17.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.1 m -144.4 110.53 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.066 -0.397 . . . . 0.0 111.136 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.34 152.01 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.137 0.494 . . . . 0.0 111.579 -177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 43.1 m-80 -84.17 119.23 24.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 165.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -55.56 -51.07 68.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.731 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 m -63.05 -33.2 74.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 111.65 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 36' ' ' ASN . 13.5 mm-40 -63.77 -60.33 3.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.406 0.622 . . . . 0.0 111.264 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.475 ' CE1' HG13 ' A' ' 19' ' ' VAL . 3.5 t80 -64.71 -42.9 94.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.41 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 p -60.73 -52.52 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.588 -175.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.87 -53.29 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.601 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.56 -34.85 79.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -90.53 -25.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.5 p -63.73 -51.44 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.15 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.605 ' O ' HG22 ' A' ' 50' ' ' THR . 42.2 mt-10 -68.04 -31.34 70.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.472 HH11 ' HD2' ' A' ' 47' ' ' ARG . 20.2 ttt180 -56.22 -39.95 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 174.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.595 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 20.4 t-105 -66.93 -47.69 70.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.9 mttt -56.11 -44.41 79.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.542 -173.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 46' ' ' GLU . 6.8 t -98.93 14.64 28.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.643 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.53 ' O ' ' HE3' ' A' ' 56' ' ' LYS . 24.0 ttm -72.95 158.23 35.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.704 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' HG2' ' A' ' 51' ' ' MET . 3.4 m -57.87 131.25 49.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.133 172.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -31.75 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.37 67.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.088 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -71.18 -38.62 72.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 48' ' ' TRP . 98.4 mttt -54.93 -42.22 71.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.258 0.552 . . . . 0.0 109.862 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.5 77.92 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.375 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -63.31 -43.21 98.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.151 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 94.3 m-85 -69.89 -32.08 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -68.34 -37.45 80.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.332 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.57 -49.69 74.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.4 mtm -64.15 -33.28 75.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.718 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.65 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -68.81 -40.61 79.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.48 80.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.431 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.5 m-20 -71.81 -35.24 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.174 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 25.6 ttpp -64.13 -46.49 83.9 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.86 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.33 86.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.015 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -64.68 -42.46 95.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 14.0 t80 -56.4 -52.6 64.04 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 175.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.226 -176.46 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.764 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 60.1 mt-30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.49 0.662 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.09 -62.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.091 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 3.3 p -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.764 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 97.0 m-85 -65.37 -32.58 74.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -76.96 -32.79 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 110.055 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.36 -5.81 48.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.611 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 18' ' ' THR . 90.0 mt -67.8 -35.81 79.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.26 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -98.3 -2.11 40.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -89.93 24.99 2.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.44 1.29 42.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 156.88 41.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.01 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.15 94.11 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.349 1.366 . . . . 0.0 111.551 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.725 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 120.775 0.322 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.91 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -101.16 -46.46 5.05 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.8 -176.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.726 ' HB3' HG21 ' B' ' 50' ' ' ILE . 42.6 mt -103.89 112.4 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 50' ' ' ILE . 30.6 t -78.61 133.57 62.76 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.654 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.486 ' HA ' HG12 ' B' ' 50' ' ' ILE . 14.8 Cg_endo -59.36 -2.3 1.3 Allowed 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.952 3.101 . . . . 0.0 115.078 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.13 -69.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 111.183 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.37 -14.06 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.104 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' B' ' 45' ' ' LEU . 42.5 pt -70.75 -15.86 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -171.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.82 -12.07 15.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.152 0.501 . . . . 0.0 112.034 -168.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.54 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 0.5 OUTLIER -96.3 -18.77 19.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.693 ' CH2' HG22 ' B' ' 50' ' ' ILE . 5.0 p-90 -131.44 8.1 4.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.808 -0.557 . . . . 0.0 112.428 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.941 ' HA ' ' HD3' ' A' ' 23' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 N-CA-C 113.334 0.475 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.61 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 65.9 mtm180 -80.3 -65.99 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 171.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 1.018 ' HA3' ' HB2' ' A' ' 70' ' ' TYR . . . 66.29 -89.71 0.14 Allowed Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.389 -0.823 . . . . 0.0 115.141 166.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' ' 67' ' ' LYS . 83.8 mttt -80.18 24.04 0.45 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -168.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.621 ' HB2' ' HD1' ' A' ' 17' ' ' PHE . 72.9 mtp -54.76 139.67 38.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 151.93 25.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.438 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 110.207 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.588 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.752 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -69.99 -39.26 76.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.999 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.621 ' HD1' ' HB2' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.26 -37.78 88.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.706 -177.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.94 -50.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.814 HG21 ' HG3' ' B' ' 44' ' ' MET . 69.2 t -67.89 -43.38 85.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -53.01 61.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.582 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -63.39 -38.04 89.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.331 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.4 m -69.1 -43.4 74.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.523 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.547 HH21 ' HB2' ' A' ' 24' ' ' GLU . 4.2 ttp85 -66.95 -49.99 63.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.935 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.547 ' HB2' HH21 ' A' ' 23' ' ' ARG . 17.2 tt0 -70.46 -31.94 69.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.915 -170.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.659 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.7 tt0 -62.51 -43.64 98.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 0.0 109.49 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -67.67 -31.07 70.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.374 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.28 -25.86 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.87 -50.56 16.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HE2' ' HG2' ' A' ' 25' ' ' GLU . 55.5 mttm -61.27 -43.7 98.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -122.2 90.41 49.03 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.83 -23.5 35.23 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.915 2.41 . . . . 0.0 112.454 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -87.77 -12.6 44.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.555 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.77 112.04 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.46 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 133.24 46.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -75.19 152.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -174.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.546 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 82.1 m-20 -74.47 112.18 10.39 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 168.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.62 -50.86 69.04 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.058 0.224 . . . . 0.0 111.452 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -56.08 -44.32 78.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 0.0 110.54 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 2.4 mm-40 -59.83 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.615 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 23.4 t80 -65.38 -46.46 80.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.655 -169.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -58.57 -43.93 89.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.684 0.278 . . . . 0.0 110.952 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 24.1 ttpp -71.0 -57.0 4.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.18 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.58 -34.23 77.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.557 -171.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.54 -34.97 65.47 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.672 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.571 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 46.7 t -61.47 -50.51 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 29.8 mt-10 -57.38 -42.77 82.8 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.512 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' A' ' 51' ' ' MET . 41.0 ttt180 -64.13 -51.62 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.277 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.19 -53.16 46.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 45' ' ' SER . 95.3 mttt -57.59 -32.31 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.208 -175.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -98.99 3.15 46.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 46.1 mtm -71.33 161.26 31.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 111.414 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -78.97 162.49 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.721 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.96 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.846 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.83 -49.45 75.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.44 -48.51 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.344 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.49 -41.27 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.88 -35.05 84.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.835 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 37.6 ttpt -59.58 -46.89 87.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -70.03 -28.51 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.28 -39.05 93.15 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 65.7 m-20 -59.87 -52.26 66.18 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.25 -30.78 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.58 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.116 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' NZ ' ' HA ' ' A' ' 61' ' ' ASP . 9.2 pttm -74.82 -26.01 59.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.252 0.549 . . . . 0.0 110.435 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.69 75.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.204 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -26.21 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -55.45 -48.96 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.739 176.286 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.07 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.498 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.4 -41.76 90.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.49 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 1.018 ' HB2' ' HA3' ' A' ' 10' ' ' GLY . 75.3 t80 -56.52 -48.77 76.52 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 27.9 mt-10 . . . . . 0 N--CA 1.45 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.909 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.701 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 96.7 mt-30 . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -56.51 -45.28 81.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.471 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 20.0 m -66.33 -36.46 82.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.701 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 88.6 m-85 -75.09 -36.35 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.279 -174.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.4 m -76.55 -7.74 55.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -99.08 -12.21 20.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.211 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.512 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 89.1 mt -62.45 -33.56 75.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.297 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -93.02 0.4 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.206 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.466 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 65.6 mttm -82.67 25.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.65 -30.88 71.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.046 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -75.2 168.28 28.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.721 176.416 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.38 93.84 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.432 1.421 . . . . 0.0 110.418 170.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.466 ' HG3' ' HG2' ' B' ' 24' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -174.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.461 ' HB3' ' CE ' ' B' ' 44' ' ' MET . 47.0 mt . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 111.152 0.056 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.814 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.3 pmm? -130.75 -65.81 0.78 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.505 HD13 ' CH2' ' B' ' 53' ' ' TRP . 65.6 mt -123.57 140.78 52.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.768 -0.583 . . . . 0.0 111.687 -165.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.464 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 p -87.92 128.05 55.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.021 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.523 ' HA ' ' HB ' ' B' ' 50' ' ' ILE . 75.9 Cg_exo -51.78 -40.97 64.76 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.907 3.071 . . . . 0.0 114.05 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.71 -46.54 81.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 111.316 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.489 ' HB3' ' HE1' ' B' ' 53' ' ' TRP . 9.1 m-20 -75.03 -39.07 61.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' B' ' 47' ' ' PRO . 6.2 mt -49.77 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.45 -5.62 25.05 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.505 ' CH2' HD13 ' B' ' 45' ' ' LEU . 44.0 p-90 -130.98 -30.54 1.78 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.529 ' CD2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--O 1.234 0.307 0 CA-C-O 120.717 0.216 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' HD2' ' OE1' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -85.62 -32.24 22.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.83 -172.66 30.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.539 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HD2' ' HG2' ' A' ' 67' ' ' LYS . 31.6 mmtp -101.67 -50.62 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm 36.57 -156.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.293 0.995 . . . . 0.0 112.797 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -121.36 170.66 9.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.52 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -57.72 -31.61 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.538 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -49.85 75.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.545 0.688 . . . . 0.0 110.019 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 1.016 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -67.32 -30.89 70.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 63' ' ' ALA . 3.3 m-85 -63.76 -34.52 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.236 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -56.99 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.257 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG13 ' CE2' ' A' ' 40' ' ' PHE . 24.3 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.456 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 7.9 tt0 -49.98 -62.4 1.59 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.761 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -66.71 -35.59 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.25 -44.03 66.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.784 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.709 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -70.79 -29.95 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.323 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.709 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 27.3 tt0 -76.13 -44.38 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.75 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -60.1 -41.32 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.661 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 13.8 t-80 -61.3 -38.45 86.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.063 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -85.18 -29.05 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.94 -43.35 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.198 0.523 . . . . 0.0 110.435 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -98.8 -2.91 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.512 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.0 m-70 -149.79 85.06 5.73 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.1 -20.89 63.44 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.728 2.286 . . . . 0.0 113.829 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -98.79 -3.95 34.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -82.51 93.26 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.45 0.643 . . . . 0.0 110.971 -176.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -76.53 117.98 18.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.429 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -79.67 142.58 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -96.12 130.39 43.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -47.86 -53.3 16.07 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.623 0.577 . . . . 0.0 110.977 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.63 -50.4 72.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.528 0.68 . . . . 0.0 111.252 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.475 ' CE2' HG13 ' A' ' 19' ' ' VAL . 10.1 t80 -70.24 -47.53 60.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.467 -171.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -61.16 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.83 -53.47 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.516 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.29 -40.96 42.66 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.474 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 22.4 p -63.45 -51.58 65.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.574 0.226 . . . . 0.0 111.115 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -60.05 -34.1 72.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 51' ' ' MET . 31.2 ttm180 -67.39 -47.79 69.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.593 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 47.7 t-105 -58.34 -41.96 85.79 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.95 0.405 . . . . 0.0 110.513 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 45' ' ' SER . 65.9 mttm -59.05 -33.42 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -92.56 -0.97 57.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 0.0 111.811 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' A' ' 48' ' ' TRP . 82.9 mtp -81.15 147.93 29.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.46 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -88.84 174.74 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.88 91.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.692 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -57.24 -48.59 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.645 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 1.8 mp0 -67.72 -34.38 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.927 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.77 -35.85 70.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.17 -33.89 88.45 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 16.7 tptm -55.0 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.866 0.466 . . . . 0.0 111.211 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 59.2 m-85 -78.18 -25.73 47.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.37 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.28 -33.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 110.502 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 19.1 t70 -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 mtm -75.38 -33.25 61.01 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.617 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . . . -61.39 -47.77 84.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.813 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 22.9 pttp -69.58 -25.23 63.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.4 -49.69 52.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.958 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.8 -23.38 61.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.35 0.595 . . . . 0.0 109.975 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -54.5 -50.06 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.009 173.072 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.94 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.56 -43.95 95.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.446 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 52.1 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.354 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 38.9 mt-10 . . . . . 0 C--O 1.238 0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.756 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.605 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 18.6 mp0 . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.461 0.172 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -87.42 -71.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.681 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 6.2 m -61.63 -36.33 80.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.161 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.605 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 50.3 m-85 -56.78 -32.53 65.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.536 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 12.1 t -93.53 -26.58 17.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.034 0.445 . . . . 0.0 110.401 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 30.0 t70 -76.41 -26.72 55.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 18' ' ' THR . 96.4 mt -57.43 -38.27 74.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.35 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.496 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 46.1 p-90 -94.98 -0.85 53.47 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.059 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 20' ' ' SER . 67.4 mttm -83.95 7.52 18.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.227 0.537 . . . . 0.0 110.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.61 4.44 36.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.925 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.537 ' O ' HD12 ' B' ' 26' ' ' LEU . 1.5 pp -102.47 127.37 30.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.778 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 10.6 Cg_endo -91.28 102.66 0.24 Allowed 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.309 2.672 . . . . 0.0 112.425 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.24 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.494 ' HB3' ' SD ' ' B' ' 44' ' ' MET . 4.5 tt . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.477 0.18 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' MET . . . . . 1.016 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 2.1 mpt? -90.71 -71.21 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.181 0.515 . . . . 0.0 110.869 -177.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.426 HD23 ' HB1' ' A' ' 16' ' ' ALA . 26.6 mt -92.83 89.35 6.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.052 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 9.2 m -76.54 140.29 68.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.422 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 16.7 Cg_exo -67.12 13.23 0.15 Allowed 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 123.46 2.773 . . . . 0.0 113.503 -175.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 46' ' ' SER . 5.7 m-20 -65.06 -67.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.301 0.572 . . . . 0.0 110.24 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 12.8 t70 -102.42 -28.82 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.457 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.507 HD12 ' CD2' ' B' ' 54' ' ' PHE . 32.3 pt -66.51 -22.11 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 114.546 1.314 . . . . 0.0 114.546 -163.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' B' ' 54' ' ' PHE . 34.4 tt0 -63.86 -11.97 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 111.02 -169.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' B' ' 49' ' ' ASP . 30.6 mt-30 -60.54 -32.44 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.958 173.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.446 ' CE2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -128.14 -42.3 1.54 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.163 -177.383 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.507 ' CD2' HD12 ' B' ' 50' ' ' ILE . 1.1 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HB2' ' CE1' ' A' ' 70' ' ' TYR . 50.0 Cg_exo . . . . . 0 C--O 1.234 0.319 0 CA-C-O 120.923 0.301 . . . . 0.0 112.44 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.919 ' HG3' ' HB2' ' B' ' 53' ' ' TRP . 19.2 ttm-85 -107.72 25.24 11.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.487 -171.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.549 ' HA3' ' OD1' ' A' ' 66' ' ' ASP . . . -96.47 -106.78 2.32 Favored Glycine 0 C--O 1.223 -0.543 0 C-N-CA 120.516 -0.85 . . . . 0.0 114.434 -172.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.742 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 2.95 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 -166.068 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' GLY . 41.3 mtm -95.32 168.99 10.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 119.337 0.971 . . . . 0.0 110.269 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -85.11 174.13 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.69 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -56.3 -36.96 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.203 -174.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.34 -53.13 60.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.849 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -72.27 -31.29 65.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 111.021 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.06 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.96 -51.86 62.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.43 -33.2 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.871 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.74 -49.59 61.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.88 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 t -60.11 -34.08 73.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.017 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.8 m -71.06 -39.31 72.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.086 0.47 . . . . 0.0 110.549 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 26.2 ttp180 -70.12 -49.04 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.832 0.825 . . . . 0.0 111.005 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -72.83 -30.75 64.28 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.901 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.8 tt0 -70.19 -29.47 66.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.063 0.458 . . . . 0.0 110.075 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.82 -35.91 75.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.44 -44.63 95.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.439 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 53.6 mtmt -55.79 -35.63 66.5 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.92 0.391 . . . . 0.0 111.47 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -94.42 -25.82 16.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 0.0 111.033 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -139.36 94.51 9.55 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.727 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.83 -14.93 45.99 Favored 'Trans proline' 0 N--CA 1.471 0.159 0 C-N-CA 122.767 2.311 . . . . 0.0 111.73 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.56 13.96 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.935 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.44 89.72 1.66 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.6 m -97.28 94.45 7.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 168.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -79.61 154.12 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 6.3 m-20 -82.98 119.58 24.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HE2' HD12 ' B' ' 50' ' ' ILE . 70.0 m-85 -54.54 -45.74 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 0.0 110.533 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 p -60.35 -58.83 6.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 8.3 mm-40 -55.36 -48.84 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.107 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 31.4 t80 -70.29 -51.8 27.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.582 -171.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 t -64.39 -36.93 85.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.0 110.556 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.364 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -71.6 -37.17 71.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.7 -39.5 80.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.403 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.608 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.1 p -64.02 -48.87 74.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.634 0.254 . . . . 0.0 110.683 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.15 -37.25 86.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.595 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 51' ' ' MET . 71.3 ttt180 -62.68 -46.88 86.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -56.07 -43.69 78.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 45' ' ' SER . 87.1 mttt -66.63 -28.47 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -107.79 18.35 21.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 39.1 ttp -99.88 148.58 24.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -66.67 147.74 52.85 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.189 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -60.68 -30.87 70.19 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.06 -46.87 78.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.258 0.551 . . . . 0.0 110.741 176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.94 -37.26 64.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 57.0 mttm -57.42 -42.04 81.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.366 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.37 91.8 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.559 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -64.26 -47.13 80.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -68.97 -29.53 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -44.61 74.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.088 0.47 . . . . 0.0 109.86 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.99 -41.13 86.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.933 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.4 mtm -71.62 -30.23 65.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 66' ' ' ASP . . . -71.0 -35.25 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 50.4 mtpt -70.11 -35.93 74.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.85 81.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.082 174.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.549 ' OD1' ' HA3' ' A' ' 10' ' ' GLY . 15.1 t70 -58.35 -45.12 88.78 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 174.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 26.2 tptp -46.69 -51.57 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.554 0.534 . . . . 0.0 110.946 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.99 -45.34 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -60.38 -44.46 95.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.246 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 8' ' ' PRO . 68.2 t80 -61.53 -37.99 85.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.778 0.323 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.3 -15.69 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.495 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.6 m -64.33 -28.98 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' B' ' 22' ' ' LEU . 80.4 m-85 -63.94 -23.51 67.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.23 -16.06 59.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.047 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.587 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 29.4 t70 -100.79 -20.16 15.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.46 . . . . 0.0 111.119 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 18' ' ' THR . 89.6 mt -61.42 -40.34 94.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.263 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -81.67 -1.87 48.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.7 0.286 . . . . 0.0 111.579 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.587 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 46.5 mtpt -79.16 24.94 0.31 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.86 10.75 4.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.368 0.604 . . . . 0.0 109.909 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 mt -95.41 152.78 39.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.167 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.28 96.57 0.28 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.546 2.164 . . . . 0.0 112.613 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.571 177.717 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.849 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 1.6 mpt? -105.27 -71.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 0.0 111.15 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.541 HD23 ' HB1' ' A' ' 16' ' ' ALA . 59.8 mt -92.96 91.64 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.93 -172.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 50' ' ' ILE . 18.9 m -61.89 131.07 93.0 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.133 -174.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.47 ' O ' ' HG2' ' B' ' 51' ' ' GLU . 80.6 Cg_exo -49.03 -43.53 35.73 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.881 3.054 . . . . 0.0 114.539 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.36 -35.84 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.02 -42.61 20.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.448 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.889 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 15.7 pt -65.47 -19.5 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 47' ' ' PRO . 25.8 mm-40 -62.97 -10.86 15.27 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.48 -177.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -101.71 -41.98 6.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.672 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.919 ' HB2' ' HG3' ' A' ' 9' ' ' ARG . 23.0 p-90 -124.94 18.47 8.51 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -171.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.889 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.774 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 C--O 1.236 0.394 0 N-CA-C 111.438 -0.254 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.703 ' HA ' HH11 ' A' ' 9' ' ' ARG . 2.1 tpp180 -83.09 -11.27 58.15 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.735 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 105.89 2.8 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.759 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -50.82 -45.11 59.32 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 123.99 0.464 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.7 mtm 35.26 -154.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 O-C-N 124.189 0.931 . . . . 0.0 113.359 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 m -95.94 160.14 14.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.862 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 p -61.25 -33.18 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.323 0.583 . . . . 0.0 110.539 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -51.55 68.97 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.092 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.25 -32.59 73.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.81 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.72 ' CZ ' ' HA ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -61.89 -32.91 73.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.941 178.375 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.624 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 83.3 t80 -57.59 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.992 175.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.544 HG23 ' SD ' ' B' ' 44' ' ' MET . 70.9 t -62.99 -42.3 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 110.507 176.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' B' ' 45' ' ' LEU . 9.8 tt0 -45.98 -58.29 3.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.474 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.24 -36.9 54.18 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 p -71.56 -33.02 68.74 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.249 0.547 . . . . 0.0 110.169 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.78 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 0.5 OUTLIER -62.25 -49.54 75.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.582 172.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.809 ' HG2' ' HE2' ' A' ' 28' ' ' LYS . 35.0 tt0 -70.7 -36.9 73.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.528 -177.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.09 -43.04 63.71 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.186 0.517 . . . . 0.0 110.249 171.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -61.02 -37.77 83.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.271 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -82.42 -21.54 35.68 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.24 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.809 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 63.9 mttm -69.73 -48.92 57.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.031 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -87.41 -16.97 33.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.627 -176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -139.59 81.24 20.3 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.83 -32.22 67.1 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.977 2.451 . . . . 0.0 112.418 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -75.13 -19.07 60.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.237 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.27 130.84 53.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 p -94.59 -168.89 1.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.15 157.39 40.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.458 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 38.9 m-80 -86.51 116.45 24.65 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.615 ' HE2' HD11 ' B' ' 50' ' ' ILE . 47.8 m-85 -44.77 -60.36 2.07 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.747 0.654 . . . . 0.0 112.187 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -64.97 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 -174.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 9.4 mm-40 -79.93 -51.87 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -60.91 -37.58 82.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.539 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -64.82 -50.91 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.712 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.6 ptpp? -61.2 -48.68 80.42 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -66.18 -45.14 81.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.101 -175.355 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.624 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 97.6 m -64.98 -35.31 80.77 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.441 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 32.8 t -65.17 -40.85 94.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.902 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 46.3 mt-10 -58.24 -45.02 88.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.006 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 51' ' ' MET . 70.5 ttt180 -66.38 -42.78 87.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.384 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -57.46 -49.65 75.57 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.585 0.231 . . . . 0.0 111.401 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 45' ' ' SER . 43.4 mttp -63.46 -23.31 67.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -112.98 17.93 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 0.0 111.658 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 52.1 ttp -103.15 156.82 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.849 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -64.02 145.56 55.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.505 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.9 -19.56 60.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -63.2 -45.55 91.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 2.2 mp0 -63.39 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 176.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.97 -47.51 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.272 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -29.85 75.48 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.095 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 33.3 ttpt -62.93 -44.52 95.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.502 175.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.28 -35.56 80.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 110.627 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.77 -42.45 97.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.206 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.98 -28.07 64.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.457 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.72 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . . . -61.23 -41.93 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 109.839 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -65.38 -31.51 72.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.22 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.17 -34.51 77.69 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 1.5 tmtp? -57.7 -46.5 84.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.228 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . . . -70.95 -36.77 72.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 110.744 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -66.17 -42.64 88.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 24.6 t80 -49.28 -46.59 46.58 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.07 0.948 . . . . 0.0 110.556 174.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 45.8 mt-10 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.152 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.14 -70.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.989 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.5 p -92.27 18.75 7.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.929 0.395 . . . . 0.0 111.556 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -58.83 -37.58 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.132 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.441 ' O ' ' HE2' ' B' ' 24' ' ' LYS . 16.4 m -73.95 -23.17 59.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.656 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 4.5 m-20 -91.05 -11.64 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.661 0.267 . . . . 0.0 111.08 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 18' ' ' THR . 95.8 mt -62.68 -38.31 89.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.268 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -92.72 -0.2 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.811 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' B' ' 20' ' ' SER . 61.6 mttm -75.18 19.83 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 111.921 -175.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.3 mt -80.79 -27.87 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.186 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.451 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.9 pp -96.14 145.34 29.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 2.0 Cg_endo -81.95 92.84 0.96 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.241 1.961 . . . . 0.0 113.549 -174.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.898 165.06 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.323 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 19' ' ' VAL . 14.7 mtm -131.54 -71.75 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.518 HD23 ' HB1' ' A' ' 16' ' ' ALA . 41.3 mt -89.11 103.46 16.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.454 ' O ' HG12 ' B' ' 50' ' ' ILE . 74.9 m -71.73 110.82 8.47 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.355 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.45 ' HA ' HD11 ' B' ' 50' ' ' ILE . 87.1 Cg_exo -46.78 -34.12 15.21 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.559 3.506 . . . . 0.0 114.791 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -71.01 -41.73 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.66 -33.23 14.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.373 -174.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.741 HD12 ' CD2' ' B' ' 54' ' ' PHE . 22.6 pt -73.87 -17.74 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.408 -177.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -48.31 -37.63 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.142 0.901 . . . . 0.0 112.184 -170.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.636 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 19.4 pt20 -59.22 -25.18 63.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.636 ' CD1' ' HG3' ' B' ' 52' ' ' GLN . 7.3 p-90 -131.19 -18.59 2.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.78 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 1.8 t80 . . . . . 0 C--N 1.329 -0.318 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.129 -0.374 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.674 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 2.8 mtm180 -83.24 -25.7 31.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.298 0.57 . . . . 0.0 110.954 -178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.641 ' HA2' ' CD1' ' A' ' 70' ' ' TYR . . . 116.87 -136.24 12.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.709 173.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -92.64 22.69 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.023 0.439 . . . . 0.0 110.513 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.674 ' SD ' ' HB3' ' A' ' 9' ' ' ARG . 76.9 mtp -59.95 112.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 13.3 t -84.66 -173.5 4.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.441 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.503 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 7.3 p -52.88 -39.47 62.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.479 0.712 . . . . 0.0 112.653 -172.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.6 -63.77 1.18 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.96 0.41 . . . . 0.0 110.707 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.87 -28.46 67.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 111.066 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -70.58 -37.89 74.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.023 -178.651 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -46.78 70.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.305 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' B' ' 44' ' ' MET . 0.2 OUTLIER -63.57 -53.58 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.049 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -58.9 -45.83 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.982 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 12.4 t -62.07 -32.4 72.93 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.2 -176.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.23 -37.85 18.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.433 0.635 . . . . 0.0 110.382 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' A' ' 35' ' ' VAL . 19.2 ttt180 -66.23 -49.36 67.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.641 -177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 29.4 tt0 -73.05 -31.83 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 21' ' ' THR . 9.7 tp10 -57.56 -49.36 76.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.317 0.579 . . . . 0.0 109.756 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -66.37 -29.37 69.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.257 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -71.22 -38.52 72.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.917 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 34.8 mmtp -71.09 -51.16 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.067 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 54.1 mtmt -70.76 -27.37 63.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -177.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -130.78 90.77 39.08 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 0.0 111.094 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -67.47 -26.87 40.19 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.632 2.221 . . . . 0.0 110.561 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -72.92 -19.36 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.443 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.67 117.54 34.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.029 0.443 . . . . 0.0 111.696 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -97.68 160.61 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.115 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG21 ' HE ' ' A' ' 23' ' ' ARG . 5.5 m -123.33 145.64 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -80.86 136.35 36.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 4.3 m-30 -58.63 -56.15 25.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.216 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.597 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 24.9 m -73.55 -46.08 49.6 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.116 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -54.64 -56.7 16.34 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.051 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.31 -40.1 89.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.551 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -72.3 -26.29 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 38' ' ' SER . 98.4 mttt -56.6 -68.26 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.662 0.744 . . . . 0.0 110.323 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -69.52 -25.6 64.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.076 -173.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.6 m -72.2 -34.84 68.69 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.994 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.768 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 19.6 t -61.77 -52.95 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.7 -37.74 76.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 51' ' ' MET . 66.0 ttt180 -58.16 -51.73 68.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.937 176.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -56.08 -42.77 77.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.012 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.768 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.2 mttt -66.03 -19.19 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.149 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -126.46 18.5 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.66 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 38.7 ttp -93.24 151.62 19.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.01 0.433 . . . . 0.0 111.557 -172.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -61.97 149.78 39.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.759 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.97 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.732 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -56.3 -50.6 70.96 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.633 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.59 -48.79 80.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.344 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -56.93 -50.47 72.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.345 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.69 -40.27 94.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.001 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -60.24 -48.39 81.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.15 -37.13 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.532 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 36.0 tt0 -65.93 -35.35 80.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.604 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.747 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 14.4 t70 -69.65 -45.08 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.75 -29.34 69.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.18 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.276 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.747 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 55.4 pttt -60.94 -31.26 70.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 110.163 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -64.23 -58.98 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.115 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 69' ' ' ARG . 3.6 t70 -69.2 -26.25 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 5.6 tmtm? -61.69 -46.57 89.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.679 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.56 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' ' HA ' ' A' ' 66' ' ' ASP . 96.9 mtt180 -71.53 -31.19 66.76 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.864 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.641 ' CD1' ' HA2' ' A' ' 10' ' ' GLY . 35.6 t80 -58.07 -41.25 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 109.674 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.948 176.765 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 16' ' ' GLN . 26.3 pt20 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.795 ' HG3' ' H ' ' B' ' 18' ' ' THR . 6.5 pt-20 -62.89 -69.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.318 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.795 ' H ' ' HG3' ' B' ' 17' ' ' GLU . 28.1 p -107.05 -4.6 18.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.385 0.612 . . . . 0.0 110.563 176.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.467 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 96.1 m-85 -67.34 -23.17 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.71 -173.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 p -75.86 -27.22 57.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.28 0.562 . . . . 0.0 110.947 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.28 -4.45 29.28 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.324 -174.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' B' ' 19' ' ' PHE . 90.6 mt -59.44 -39.76 84.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -87.42 -9.64 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.332 0.587 . . . . 0.0 109.999 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -93.62 24.44 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.931 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.12 -18.15 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.138 0.494 . . . . 0.0 110.442 176.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.9 OUTLIER -80.97 138.41 49.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.768 173.552 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.6 Cg_exo -75.0 94.97 0.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.246 1.964 . . . . 0.0 111.697 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.573 176.685 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.23 0.059 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.462 ' HB3' HG21 ' A' ' 19' ' ' VAL . 35.0 mtm -137.97 -73.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.428 HD23 ' HB1' ' A' ' 16' ' ' ALA . 23.3 mt -96.01 97.5 9.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.581 ' O ' HG13 ' B' ' 50' ' ' ILE . 9.8 m -63.41 116.26 24.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.213 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.461 ' HA ' HD12 ' B' ' 50' ' ' ILE . 88.4 Cg_exo -47.7 -40.02 30.87 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.779 2.986 . . . . 0.0 113.81 -176.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.24 -40.96 87.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.8 -25.07 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.444 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 46' ' ' SER . 16.0 mt -47.43 -44.15 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.06 -15.73 15.19 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.15 -27.14 26.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.667 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -127.99 -60.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.988 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' B' ' 54' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.708 . . . . 0.0 109.237 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 113.366 0.487 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -68.28 -47.87 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.465 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.41 162.72 11.84 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.36 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -96.03 24.84 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.243 0.617 . . . . 0.0 110.643 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.439 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.9 mtm -55.01 156.94 3.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.224 -173.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -82.74 -179.13 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -56.19 -43.51 78.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.223 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.53 -43.56 75.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -177.506 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HA ' ' CB ' ' B' ' 44' ' ' MET . . . -77.2 -36.3 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.38 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -36.61 84.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.573 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 59' ' ' PHE . 39.9 t80 -55.75 -53.63 54.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.862 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG21 ' SD ' ' B' ' 44' ' ' MET . 4.7 t -68.47 -32.5 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.985 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -64.5 -56.07 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.381 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 10.1 t -61.93 -37.05 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.716 -173.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 p -78.19 -37.9 44.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.791 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.021 0.438 . . . . 0.0 110.356 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.45 -29.12 61.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 21' ' ' THR . 6.7 tp10 -60.87 -42.44 97.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.356 0.598 . . . . 0.0 109.964 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -76.06 -25.24 55.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.498 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -79.96 -27.4 39.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -74.39 -45.72 44.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.711 0.291 . . . . 0.0 110.683 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -77.45 -21.82 52.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.838 0.352 . . . . 0.0 111.577 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 41.5 m-70 -136.08 88.36 22.14 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.551 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.15 -16.84 49.89 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.663 2.242 . . . . 0.0 111.081 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -86.08 -26.56 25.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.717 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 30' ' ' HIS . . . -100.79 91.67 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 t -83.22 125.06 31.15 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 m -72.71 141.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.216 0.531 . . . . 0.0 110.792 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 38.8 t30 -79.12 138.25 37.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.891 175.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.818 ' HE2' HD11 ' B' ' 50' ' ' ILE . 58.1 m-85 -59.82 -42.99 94.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.658 0.266 . . . . 0.0 111.163 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.435 ' HB2' ' ND2' ' A' ' 36' ' ' ASN . 13.4 m -61.39 -45.75 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.534 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 36' ' ' ASN . 8.3 pt-20 -69.15 -48.0 63.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -172.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 6.8 t80 -78.04 -53.53 7.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.371 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.0 m -55.54 -44.2 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.396 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -59.89 -56.76 17.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.657 0.265 . . . . 0.0 111.177 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 56.2 pttt -69.73 -35.86 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.674 -175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.24 -29.06 64.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.452 0.168 . . . . 0.0 111.452 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.743 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 66.7 m -58.3 -58.43 8.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -66.3 -33.23 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.715 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' O ' ' HG3' ' A' ' 51' ' ' MET . 77.4 ttt180 -57.88 -50.23 74.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.701 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -63.65 -42.36 98.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.743 ' HG3' ' O ' ' A' ' 45' ' ' SER . 62.9 mttm -62.63 -21.44 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.593 -174.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -104.38 7.31 35.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 82.9 mtp -88.27 159.29 18.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.692 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -86.75 158.13 19.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.98 70.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.114 -0.493 . . . . 0.0 112.26 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -62.81 -44.28 96.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.093 0.473 . . . . 0.0 111.078 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.67 -35.71 60.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -62.35 -35.25 78.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.068 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.03 76.89 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.359 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -63.2 -46.43 87.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.515 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 96.4 m-85 -72.41 -25.11 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.828 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -74.14 -37.26 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.887 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 20.7 t70 -66.53 -46.66 75.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.042 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.515 ' HG2' ' HA ' ' A' ' 59' ' ' PHE . 24.1 ptp -63.72 -26.35 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.23 -46.84 31.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.57 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 21.4 pttp -72.13 -24.83 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 110.597 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.43 74.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.402 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -55.49 -47.02 76.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.491 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.96 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.527 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.35 -47.5 79.1 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -53.14 -48.26 68.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 123.634 0.584 . . . . 0.0 110.952 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.164 179.857 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.786 0.326 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.27 -10.75 59.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.329 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 4.9 m -56.17 -34.04 65.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.66 0.266 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.21 -30.97 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 0.0 111.082 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -86.17 -3.0 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.395 0.617 . . . . 0.0 110.028 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -100.9 -11.05 20.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.829 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 18' ' ' THR . 87.2 mt -66.74 -42.95 85.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.403 -173.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 p-90 -76.92 -0.54 24.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.97 26.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.435 . . . . 0.0 111.599 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.44 -18.94 59.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.109 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.522 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.1 pp -102.85 128.19 28.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.7 Cg_exo -79.12 94.33 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.605 2.203 . . . . 0.0 112.942 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 170.546 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.192 0.52 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.534 ' SD ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.69 -70.66 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.567 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' B' ' 50' ' ' ILE . 39.6 mt -88.22 88.88 7.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.653 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.426 ' O ' HG12 ' B' ' 50' ' ' ILE . 23.9 m -81.33 132.79 54.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.489 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -43.03 -44.53 9.47 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.221 3.281 . . . . 0.0 115.081 -171.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.03 -48.45 73.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.495 0.664 . . . . 0.0 111.109 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.818 HD11 ' HE2' ' A' ' 37' ' ' PHE . 21.1 pt -91.71 -9.01 10.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.752 -171.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.92 -6.32 2.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.345 0.593 . . . . 0.0 111.44 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.624 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 7.7 mt-30 -77.46 -34.87 54.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.164 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.624 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -130.97 -44.87 1.04 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.099 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.547 ' HD2' HD13 ' B' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.46 -0.475 0 CA-C-O 120.606 0.169 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 25.2 ttm105 -67.66 -26.79 66.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.542 . . . . 0.0 110.06 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' HA2' ' CE1' ' A' ' 70' ' ' TYR . . . 116.59 -135.74 12.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.717 170.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HE2' ' HG3' ' A' ' 67' ' ' LYS . 16.3 ptpt -130.94 24.93 4.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.081 -174.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.492 ' HE3' ' HB1' ' A' ' 16' ' ' ALA . 62.7 mtp -32.14 126.93 0.25 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.75 1.281 . . . . 0.0 112.666 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -66.95 169.99 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.299 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 p -54.81 -39.09 68.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.719 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.1 t80 -57.22 -48.24 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.405 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.708 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -76.37 -29.5 57.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 110.538 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 42.3 t80 -55.04 -47.41 74.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.319 173.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 15' ' ' TYR . 2.6 t -68.08 -40.5 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.462 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -56.71 -56.72 17.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.412 HG21 ' HE1' ' A' ' 59' ' ' PHE . 7.8 t -62.34 -37.0 83.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.161 0.288 . . . . 0.0 111.614 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.3 m -72.78 -43.74 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.362 0.601 . . . . 0.0 110.358 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.717 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 19.3 ttp85 -67.63 -54.8 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.923 -177.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.798 ' HG2' ' HE3' ' A' ' 28' ' ' LYS . 33.0 tt0 -74.78 -37.57 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.084 -167.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.67 -39.32 94.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.678 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -62.17 -31.69 72.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.92 -38.18 37.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.798 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 96.6 mttt -71.35 -36.18 71.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.92 -23.05 31.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -139.84 83.9 15.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.33 -38.86 32.36 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.611 2.208 . . . . 0.0 111.759 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.86 -26.57 66.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.454 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.35 105.82 12.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.2 m -89.7 137.91 31.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 m -88.37 155.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.572 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 43.6 m-80 -88.64 116.16 26.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -52.41 -59.59 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -64.05 -35.48 80.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.355 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 20.5 mm-40 -67.94 -47.65 68.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.92 -53.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.324 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -61.55 -36.24 80.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -63.06 -55.15 27.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.418 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.83 -35.12 72.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.336 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 84.5 m -73.25 -27.89 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 91.6 p -64.64 -50.6 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.63 -37.73 88.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -55.66 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.692 175.104 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -52.97 -53.38 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 45' ' ' SER . 94.0 mttt -63.5 -30.54 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.936 -172.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.7 p -96.81 2.72 52.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 50.6 mtm -75.02 168.73 19.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.324 175.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 p -83.63 161.85 20.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.05 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.595 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -67.86 -32.75 73.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.02 -46.89 27.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.84 -39.13 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.786 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.57 -36.94 93.36 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.5 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -58.95 -50.87 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HE1' HG21 ' A' ' 21' ' ' THR . 94.0 m-85 -65.69 -31.24 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.925 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.704 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 35.2 tt0 -69.21 -40.47 77.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.485 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 28.9 t70 -70.79 -27.28 63.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.91 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtm -77.52 -33.03 54.42 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.092 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.86 -48.08 69.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.037 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 18.7 ptmt -61.62 -34.01 74.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.503 177.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.88 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.643 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 13.2 t0 -66.8 -42.55 85.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 36.8 ttpt -56.14 -42.45 76.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.671 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.68 74.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.384 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 66' ' ' ASP . 34.4 ptt180 -66.34 -30.23 70.58 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.236 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 87.1 t80 -66.11 -50.63 63.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.45 174.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.296 0 C-N-CA 122.831 0.452 . . . . 0.0 110.649 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.04 -26.52 67.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -89.49 -40.55 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.134 0.492 . . . . 0.0 110.219 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -67.27 -28.28 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.5 p -64.3 -35.88 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 0.1 OUTLIER -83.62 -5.11 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.786 0.327 . . . . 0.0 111.275 -176.614 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.87 -27.49 63.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.531 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 67.0 p-90 -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.716 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 51.0 mtpt -76.38 20.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 111.781 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.3 -18.79 41.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 109.879 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 23' ' ' TRP . 2.6 pp -81.08 154.29 72.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.012 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.22 95.07 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.095 1.863 . . . . 0.0 111.242 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.714 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.403 ' HB2' ' SD ' ' B' ' 44' ' ' MET . 91.9 mt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.708 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -130.34 -71.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.161 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 10.9 mt -92.45 109.75 21.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.335 -174.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 6.1 p -70.82 128.54 90.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.888 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 52.1 Cg_exo -56.58 -25.06 57.13 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.207 2.605 . . . . 0.0 112.632 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.99 -45.06 95.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -94.88 -22.92 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.312 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' B' ' 54' ' ' PHE . 3.6 mt -47.61 -41.81 8.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.878 -1.056 . . . . 0.0 113.586 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.84 -5.92 3.27 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -97.46 -40.57 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -130.7 -16.33 3.37 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -170.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.726 ' HB3' HG23 ' B' ' 50' ' ' ILE . 1.6 t80 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -173.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.1 -52.32 65.84 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.02 -100.48 1.75 Allowed Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.851 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.626 ' CB ' ' HE3' ' A' ' 7' ' ' LYS . 8.7 m-20 49.88 51.27 10.43 Favored Pre-proline 0 N--CA 1.467 0.389 0 O-C-N 124.013 0.478 . . . . 0.0 111.078 -173.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 4' ' ' ASP . 1.8 Cg_endo -81.75 15.72 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.98 2.453 . . . . 0.0 113.138 -169.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.82 31.72 4.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.128 0.49 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.626 ' HE3' ' CB ' ' A' ' 4' ' ' ASP . 98.2 mttt -67.06 161.03 66.79 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.5 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.91 -167.98 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.204 2.603 . . . . 0.0 111.516 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -47.84 -49.73 28.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.74 -176.99 17.51 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.443 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -106.15 22.41 15.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.464 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 43.7 mtm -51.46 145.3 8.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.446 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.33 167.49 12.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.554 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.705 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 22.1 p -54.67 -31.18 57.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.02 0.438 . . . . 0.0 111.429 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -48.91 71.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.978 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -74.06 -30.23 62.29 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.57 -32.59 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 57.4 t80 -58.41 -50.97 71.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.258 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.44 -43.1 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -58.63 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.748 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -66.66 -33.31 75.37 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.045 0.216 . . . . 0.0 111.37 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.5 t -75.97 -45.87 32.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.624 0.25 . . . . 0.0 110.999 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.817 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -65.74 -31.34 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.817 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 28.2 tt0 -77.61 -45.22 25.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.831 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.564 ' HG3' ' HE2' ' A' ' 29' ' ' LYS . 3.4 tp10 -54.51 -41.5 69.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -66.98 -35.3 79.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.215 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 8.1 tmtm? -78.68 -28.17 45.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.873 0.368 . . . . 0.0 110.293 -175.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.557 ' HD2' ' HG2' ' A' ' 24' ' ' GLU . 42.3 mtpt -70.94 -44.36 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 51.0 mttm -69.47 -35.89 76.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -123.0 88.77 50.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.96 -14.04 40.04 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.819 2.346 . . . . 0.0 111.103 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -85.27 -10.96 55.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.615 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.19 159.72 17.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.937 0.875 . . . . 0.0 112.718 -171.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 t -135.64 -164.01 1.48 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 170.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.88 167.59 25.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 76.6 m-20 -93.9 120.92 34.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -52.96 -55.6 22.26 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.555 0.534 . . . . 0.0 112.186 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.924 ' HA ' ' HB3' ' B' ' 41' ' ' ASP . 40.2 m -63.59 -39.61 94.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 67.0 mm-40 -65.1 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.401 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.07 -41.5 92.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.545 -171.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -66.87 -33.78 76.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.644 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -72.24 -45.14 61.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 49.1 mttm -58.26 -45.45 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.139 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.81 -41.67 95.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.158 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.682 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 41.6 t -54.74 -56.42 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.2 -42.33 93.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.104 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -65.68 -43.48 89.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.072 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.0 t-105 -56.47 -50.5 71.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.25 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' ' 45' ' ' SER . 55.8 mttm -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.862 -174.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -84.24 -0.21 51.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.8 mtm -83.09 171.77 13.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.876 0.37 . . . . 0.0 111.158 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -90.9 166.58 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.246 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -55.81 -46.31 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.188 0.518 . . . . 0.0 110.737 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 29.2 mt-10 -73.51 -45.16 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.348 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -61.68 -42.72 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.838 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.57 75.61 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.25 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 36.4 ttpt -61.47 -48.37 81.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.257 175.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 93.2 m-85 -67.32 -35.71 79.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.705 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 7.4 tp10 -61.95 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.848 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -62.71 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.818 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.11 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.463 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.44 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.956 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.848 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 9.7 mtmp? -60.85 -39.43 89.12 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 110.647 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.88 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.29 -35.35 58.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.48 -46.12 84.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.844 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.82 82.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.362 . . . . 0.0 111.023 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.9 ttm105 -66.09 -37.45 85.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.95 -47.41 86.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.389 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.96 -38.68 73.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.646 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.76 -47.57 85.71 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.732 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.86 -28.4 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.49 -38.2 68.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -67.09 -36.92 83.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.089 0.471 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.0 p -90.33 10.19 25.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.551 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -102.14 130.08 48.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.318 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 3.7 mp -109.26 119.03 49.62 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 24.1 Cg_exo -64.12 113.86 2.4 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.224 2.616 . . . . 0.0 113.108 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 4' ' ' ASP . 10.0 Cg_exo -70.81 109.17 2.45 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.889 2.393 . . . . 0.0 110.832 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 81' ' ' LYS . 15.1 tptm 59.09 30.71 20.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.687 0.756 . . . . 0.0 109.986 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.488 ' HA3' ' HB2' ' A' ' 79' ' ' PRO . . . -70.46 89.2 0.35 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.153 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.743 -0.228 . . . . 0.0 110.817 178.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' B' ' 16' ' ' GLN . 2.5 pt? . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.7 m -103.39 -1.64 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.035 0.445 . . . . 0.0 110.984 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.622 ' HB2' HD12 ' B' ' 14' ' ' LEU . 98.1 mt-30 -90.29 97.84 11.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.708 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.499 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -104.56 -25.4 12.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.912 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 99.7 m-85 -65.79 -31.61 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.4 t -81.97 -3.18 53.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.5 -18.12 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 76.6 mt -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.666 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -82.69 -11.26 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.722 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -82.48 25.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.127 0.489 . . . . 0.0 111.719 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -88.04 7.55 30.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.501 0.667 . . . . 0.0 109.557 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.75 158.73 80.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.624 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -66.33 95.76 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 121.808 1.672 . . . . 0.0 111.536 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -105.22 14.22 29.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.212 171.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 92.91 -1.72 0.12 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 125.031 1.457 . . . . 0.0 109.013 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.72 70.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.055 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -123.26 4.83 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.035 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -130.9 135.21 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.491 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.82 112.93 2.82 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.272 1.981 . . . . 0.0 111.215 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.421 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 29.4 tp -91.68 117.81 67.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.52 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' B' ' 35' ' ' LEU . 17.2 Cg_endo -57.66 128.66 30.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.081 2.521 . . . . 0.0 111.75 177.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -108.97 -8.47 15.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -93.69 -22.52 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.86 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.29 144.78 14.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 0.0 111.081 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -92.59 -11.01 35.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.063 0.459 . . . . 0.0 110.381 178.649 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.924 ' HB3' ' HA ' ' A' ' 38' ' ' SER . 1.4 p30 -87.34 2.6 49.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.304 0.573 . . . . 0.0 110.494 176.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -111.08 8.19 21.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.074 0.94 . . . . 0.0 109.138 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.661 HD22 ' SD ' ' B' ' 44' ' ' MET . 1.3 tt -62.57 -55.02 31.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.952 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.661 ' SD ' HD22 ' B' ' 43' ' ' LEU . 3.4 mpp? -99.6 -71.34 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.953 -175.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.829 ' HB3' HG21 ' B' ' 50' ' ' ILE . 41.9 mt -94.53 99.0 11.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.857 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.446 ' O ' HG12 ' B' ' 50' ' ' ILE . 8.9 t -76.72 133.98 69.59 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.907 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.431 ' HA ' HG12 ' B' ' 50' ' ' ILE . 36.7 Cg_exo -57.24 -36.18 99.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.644 2.896 . . . . 0.0 114.255 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.78 -49.34 48.83 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -93.09 -41.07 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.829 HG21 ' HB3' ' B' ' 45' ' ' LEU . 45.4 pt -67.32 -32.4 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -166.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.453 ' N ' HG13 ' B' ' 50' ' ' ILE . 31.7 mt-10 -58.24 -17.98 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -167.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.76 -37.64 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.865 0.364 . . . . 0.0 111.02 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -123.07 -29.13 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' B' ' 50' ' ' ILE . 8.2 t80 -54.61 -42.38 71.1 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.3 t -140.69 149.68 42.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -123.01 89.18 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . 7.5 p-10 -114.25 152.42 45.93 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.997 -174.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ASP . 6.7 Cg_exo -74.14 -21.83 17.53 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.835 2.357 . . . . 0.0 111.746 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.38 158.73 10.42 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.908 2.405 . . . . 0.0 112.314 178.779 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.122 -0.391 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -156.01 164.46 38.43 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.318 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.46 170.13 29.16 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.423 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.557 ' H ' ' HD2' ' A' ' 7' ' ' LYS . 8.1 m-20 -134.54 145.19 54.05 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.9 12.86 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.515 2.144 . . . . 0.0 111.798 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -124.82 20.6 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.535 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HD2' ' H ' ' A' ' 4' ' ' ASP . 37.1 mttm -99.72 122.37 51.4 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.901 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 4.3 Cg_exo -76.42 129.53 11.17 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.844 2.363 . . . . 0.0 110.387 171.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.729 ' HD3' HE22 ' A' ' 20' ' ' GLN . 1.5 ptp180 -65.41 -18.47 65.34 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.855 0.36 . . . . 0.0 110.981 -176.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.27 -168.34 20.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.515 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -108.67 26.16 10.87 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 24.1 mtm -44.59 141.65 1.93 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.844 -177.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -76.41 179.9 5.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.585 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 59' ' ' PHE . 13.1 m -57.92 -25.86 61.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.145 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -61.64 -54.46 42.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.314 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.49 -32.38 73.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 1.4 m-85 -64.76 -36.38 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 21' ' ' THR . 60.1 t80 -54.71 -54.48 41.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 110.621 175.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.47 -42.94 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.729 HE22 ' HD3' ' A' ' 9' ' ' ARG . 25.7 tt0 -64.43 -47.69 78.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.811 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.505 HG21 ' HE1' ' A' ' 59' ' ' PHE . 12.6 t -58.23 -35.56 71.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 p -87.88 -36.68 17.04 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.412 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.666 HH21 ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.64 -42.16 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.122 0.487 . . . . 0.0 110.942 -179.037 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 tp10 -74.88 -45.5 42.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.196 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.55 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 9.6 tp10 -59.97 -28.97 68.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.461 0.648 . . . . 0.0 110.241 176.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -66.0 -40.76 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.286 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.666 ' HD3' HH21 ' A' ' 23' ' ' ARG . 9.9 mtpm? -82.71 -19.98 36.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.006 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 25' ' ' GLU . 29.3 mtpp -64.71 -54.29 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.006 0.431 . . . . 0.0 110.003 173.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HE3' ' HG3' ' A' ' 25' ' ' GLU . 9.5 mtmp? -77.93 -32.93 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.733 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' LYS . 88.6 m-70 -125.99 90.83 49.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.668 0.271 . . . . 0.0 110.49 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.38 -12.75 32.26 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 123.032 2.488 . . . . 0.0 111.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.78 7.1 47.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.161 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.59 89.64 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.163 0.506 . . . . 0.0 112.209 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -84.77 135.05 34.28 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.99 152.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.635 0.255 . . . . 0.0 110.54 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.57 132.15 34.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.402 ' HE2' ' HB3' ' B' ' 56' ' ' GLU . 65.4 m-85 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.31 0.381 . . . . 0.0 111.542 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HA ' ' SD ' ' B' ' 40' ' ' MET . 36.1 p -66.62 -52.49 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.143 0.497 . . . . 0.0 110.722 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.4 -60.13 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.659 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -68.53 -52.44 32.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.046 -169.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' B' ' 41' ' ' ASP . 5.6 m -67.38 -36.65 81.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.572 -174.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.04 -48.36 80.61 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.079 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 18.3 ptpt -67.64 -32.88 73.88 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.495 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.74 -40.52 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.644 0.259 . . . . 0.0 110.4 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.676 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 29.2 t -55.25 -52.29 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.865 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.75 -41.0 97.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.117 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 94.5 mtt180 -63.32 -46.25 87.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.281 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -59.16 -46.45 88.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.709 0.29 . . . . 0.0 111.317 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 45' ' ' SER . 42.0 mttm -69.5 -18.86 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -109.99 22.41 15.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.5 ttp -108.15 151.75 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.12 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -68.52 159.5 31.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.058 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -72.15 -24.22 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.54 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.1 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 37.1 mm-40 -67.66 -38.34 83.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.083 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 63.9 mttm -59.46 -43.35 93.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.02 -30.95 79.34 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.972 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 29.3 ttpt -62.33 -44.8 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 0.0 110.388 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.505 ' HE1' HG21 ' A' ' 21' ' ' THR . 61.6 m-85 -70.04 -20.66 63.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.644 ' HG2' ' HE2' ' A' ' 64' ' ' LYS . 39.7 tt0 -71.19 -38.32 72.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.183 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.32 -47.44 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.236 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.433 ' HE3' ' HA ' ' A' ' 59' ' ' PHE . 23.0 ptp -63.63 -31.45 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.56 91.48 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.302 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HE2' ' HG2' ' A' ' 60' ' ' GLU . 66.3 mttm -67.27 -37.53 83.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.99 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.585 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 2.6 m-20 -75.38 -17.57 60.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.379 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.07 -41.09 78.01 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.638 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -65.8 -36.7 84.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 174.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' ASP . 36.3 ttm180 -65.65 -37.15 85.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.391 175.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.37 -48.59 79.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.297 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.673 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 70.6 mm-40 -53.27 -47.83 68.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.434 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 36.8 mtt180 -57.67 -59.73 4.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.369 0.604 . . . . 0.0 110.358 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.19 -41.67 93.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.441 -172.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -67.22 -29.26 68.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.492 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 47.2 mmtm -74.87 -35.25 62.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.326 0.584 . . . . 0.0 110.22 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.7 p -87.16 0.25 55.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.523 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -85.14 128.8 34.8 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.027 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 3.4 mp -94.35 114.45 63.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 78' ' ' ILE . 22.3 Cg_exo -64.4 114.45 2.69 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.838 2.358 . . . . 0.0 111.991 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -90.09 165.16 4.73 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.05 2.5 . . . . 0.0 112.617 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -122.14 92.91 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -116.26 44.21 1.51 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.993 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.085 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.992 0.425 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 m -91.36 -4.41 55.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.014 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' B' ' 19' ' ' PHE . 95.9 mt-30 60.84 20.14 10.35 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.86 -68.8 0.16 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.821 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.6 p -85.26 -16.55 39.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 0.0 110.837 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' B' ' 16' ' ' GLN . 83.7 m-85 -69.52 -28.57 66.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.497 -175.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.5 p -80.05 -3.7 49.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.881 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 17.2 t70 -96.91 -18.07 19.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.147 0.498 . . . . 0.0 110.24 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.15 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.043 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -93.25 0.48 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.077 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' B' ' 21' ' ' ASP . 63.5 mttm -80.89 24.92 0.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.054 0.454 . . . . 0.0 111.168 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.43 -23.63 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.945 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.494 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -101.25 109.16 57.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.664 173.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.56 95.57 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.385 2.057 . . . . 0.0 112.277 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.5 ' HG3' HG12 ' B' ' 31' ' ' VAL . 44.6 mm-40 -96.59 176.3 6.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.803 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -115.52 -41.97 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.4 0.619 . . . . 0.0 109.738 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.438 ' OD1' ' HB2' ' B' ' 32' ' ' LEU . 24.2 p-10 -151.85 27.44 0.63 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.5 HG12 ' HG3' ' B' ' 28' ' ' GLU . 19.4 m 37.35 53.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 124.307 1.005 . . . . 0.0 110.853 -171.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.438 ' HB2' ' OD1' ' B' ' 30' ' ' ASN . 3.2 tm? -63.99 122.57 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.82 -173.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 47.6 t -130.18 136.96 29.82 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.131 176.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 33' ' ' SER . 31.8 Cg_exo -61.45 109.73 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.496 2.13 . . . . 0.0 111.756 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.9 tp -143.75 108.16 5.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.81 109.5 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.815 2.343 . . . . 0.0 112.057 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.0 m -98.52 -6.04 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.458 0.647 . . . . 0.0 109.78 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -63.61 -34.93 78.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.21 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.77 ' HB1' HD21 ' B' ' 43' ' ' LEU . . . -136.86 83.54 2.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.414 ' SD ' ' HA ' ' A' ' 38' ' ' SER . 23.3 ptt? -131.17 -50.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.111 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.426 ' HA ' ' HB3' ' A' ' 41' ' ' SER . 34.9 t70 -120.42 -42.8 2.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.209 -174.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.2 -7.62 2.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.801 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.77 HD21 ' HB1' ' B' ' 39' ' ' ALA . 60.3 mt -58.9 -38.68 79.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.708 ' SD ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -131.1 -47.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.755 -178.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.746 ' HB3' HG21 ' B' ' 50' ' ' ILE . 16.0 mt -97.44 100.5 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 m -95.03 139.53 22.11 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.418 -173.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' B' ' 50' ' ' ILE . 97.4 Cg_exo -45.21 -30.91 5.53 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.001 3.134 . . . . 0.0 112.828 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.8 -49.21 29.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.01 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -102.01 -41.76 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.225 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 1.064 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 29.7 pt -64.76 -25.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -166.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.98 -5.94 5.37 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.506 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 26.7 mm-40 -86.54 -28.15 23.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -131.85 -52.4 0.98 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.935 -173.827 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 1.064 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.9 OUTLIER -83.41 93.39 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.6 p -128.43 144.95 51.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.402 ' HB3' ' HE2' ' A' ' 37' ' ' PHE . 6.6 tp10 -110.97 105.41 14.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.731 176.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.477 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . 41.2 m-20 -123.86 113.01 28.63 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.63 177.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 57' ' ' ASP . 1.8 Cg_endo -85.13 27.88 0.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 124.265 3.31 . . . . 0.0 112.493 -174.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.81 -149.43 19.52 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.688 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.448 -1.193 0 C-N-CA 122.997 2.464 . . . . 0.0 112.258 177.736 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -93.75 -43.2 8.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.165 0.507 . . . . 0.0 109.651 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.31 68.05 0.44 Allowed Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.99 114.11 9.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 O-C-N 123.861 0.389 . . . . 0.0 111.3 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.01 11.07 3.43 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.81 2.34 . . . . 0.0 112.427 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -122.74 19.84 10.21 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.58 122.21 45.66 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.143 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.9 153.81 76.69 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.376 2.051 . . . . 0.0 110.78 173.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.855 ' HD2' HE21 ' A' ' 20' ' ' GLN . 34.0 ttm180 -86.86 24.19 1.55 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -164.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.13 -173.71 39.67 Favored Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.201 -0.999 . . . . 0.0 114.044 170.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -115.23 25.72 10.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.021 -0.589 . . . . 0.0 109.988 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.8 mtm -44.45 153.67 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -70.6 163.25 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.191 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -56.65 -35.74 68.71 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.914 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -48.13 74.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.47 0.652 . . . . 0.0 109.89 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.91 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -65.84 -38.32 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.482 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 66' ' ' ASP . 5.7 m-85 -59.99 -41.21 91.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.48 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.403 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 21.4 t80 -52.18 -57.53 9.36 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.523 0.514 . . . . 0.0 111.064 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG13 ' CE1' ' A' ' 40' ' ' PHE . 78.6 t -65.4 -40.72 89.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.855 HE21 ' HD2' ' A' ' 9' ' ' ARG . 49.6 tt0 -58.46 -52.28 66.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.576 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -63.19 -40.23 96.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.701 0.286 . . . . 0.0 111.115 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 m -72.44 -23.31 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.456 0.646 . . . . 0.0 110.137 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.941 ' HD3' ' HA ' ' B' ' 54' ' ' PHE . 47.1 ttm-85 -80.92 -56.08 4.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.714 -175.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 17.7 tt0 -67.93 -36.16 79.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.252 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.05 -42.72 81.05 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.779 0.8 . . . . 0.0 109.39 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -44.45 96.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.145 175.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HE3' ' HB3' ' B' ' 56' ' ' GLU . 4.5 tppp? -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.263 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.1 mmtt -53.23 -41.81 65.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.868 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -94.44 -23.51 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -130.91 89.11 43.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.22 -30.42 4.28 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.103 2.535 . . . . 0.0 113.578 -174.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.42 16.34 26.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.921 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' C ' ' HA ' ' B' ' 56' ' ' GLU . . . -88.63 159.97 17.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' B' ' 57' ' ' ASP . 36.1 m -144.4 110.53 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.066 -0.397 . . . . 0.0 111.136 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.55 HG13 ' C ' ' B' ' 56' ' ' GLU . 16.1 m -66.34 152.01 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.137 0.494 . . . . 0.0 111.579 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 43.1 m-80 -84.17 119.23 24.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 165.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HB3' ' CB ' ' B' ' 41' ' ' ASP . 15.3 m-85 -55.56 -51.07 68.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.731 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 m -63.05 -33.2 74.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 111.65 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 36' ' ' ASN . 13.5 mm-40 -63.77 -60.33 3.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.406 0.622 . . . . 0.0 111.264 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.475 ' CE1' HG13 ' A' ' 19' ' ' VAL . 3.5 t80 -64.71 -42.9 94.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.41 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 p -60.73 -52.52 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.588 -175.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.87 -53.29 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.601 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.56 -34.85 79.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -90.53 -25.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.5 p -63.73 -51.44 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.15 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' O ' HG22 ' A' ' 50' ' ' THR . 42.2 mt-10 -68.04 -31.34 70.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.472 HH11 ' HD2' ' A' ' 47' ' ' ARG . 20.2 ttt180 -56.22 -39.95 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 174.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.595 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 20.4 t-105 -66.93 -47.69 70.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.9 mttt -56.11 -44.41 79.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.542 -173.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 46' ' ' GLU . 6.8 t -98.93 14.64 28.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.643 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.53 ' O ' ' HE3' ' A' ' 56' ' ' LYS . 24.0 ttm -72.95 158.23 35.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.704 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' HG2' ' A' ' 51' ' ' MET . 3.4 m -57.87 131.25 49.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.133 172.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -31.75 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.37 67.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.088 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -71.18 -38.62 72.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 48' ' ' TRP . 98.4 mttt -54.93 -42.22 71.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.258 0.552 . . . . 0.0 109.862 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.5 77.92 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.375 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -63.31 -43.21 98.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.151 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 94.3 m-85 -69.89 -32.08 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -68.34 -37.45 80.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.332 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.57 -49.69 74.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.4 mtm -64.15 -33.28 75.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.718 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.65 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -68.81 -40.61 79.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.48 80.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.431 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.5 m-20 -71.81 -35.24 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.174 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 25.6 ttpp -64.13 -46.49 83.9 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.86 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.33 86.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.015 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -64.68 -42.46 95.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 14.0 t80 -56.4 -52.6 64.04 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 175.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.03 -38.27 78.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.226 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -75.16 -47.19 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.313 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.23 -44.97 86.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 49.2 tpp -62.46 -29.93 70.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 20.5 tptm -67.41 -37.3 82.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 74.2 p -85.78 -14.37 45.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.1 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.06 124.96 36.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.262 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.4 mp -117.25 93.07 41.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-O 120.986 0.422 . . . . 0.0 109.92 175.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 40.6 Cg_endo -67.96 148.95 77.13 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.973 2.449 . . . . 0.0 112.105 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 50.1 Cg_exo -54.51 142.24 71.39 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.748 2.299 . . . . 0.0 111.542 176.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.0 88.73 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.438 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.98 -84.45 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.961 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.237 0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 110.677 177.533 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.1 t -96.74 -32.59 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 -177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.764 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 60.1 mt-30 55.42 75.79 0.3 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.49 0.662 . . . . 0.0 110.165 -174.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.09 -62.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.091 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 3.3 p -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.764 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 97.0 m-85 -65.37 -32.58 74.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -76.96 -32.79 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 110.055 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.36 -5.81 48.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.611 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 18' ' ' THR . 90.0 mt -67.8 -35.81 79.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.26 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -98.3 -2.11 40.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -89.93 24.99 2.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.44 1.29 42.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 156.88 41.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.01 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.15 94.11 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.349 1.366 . . . . 0.0 111.551 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 71.79 10.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.725 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -109.07 -5.25 16.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.42 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 p30 178.99 -36.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.264 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t 69.15 91.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.078 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.76 96.06 10.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.038 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.473 ' O ' HD22 ' B' ' 35' ' ' LEU . 16.3 m -97.43 148.01 33.81 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.557 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 33' ' ' SER . 22.6 Cg_exo -65.55 115.54 3.43 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.315 2.01 . . . . 0.0 112.074 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.473 HD22 ' O ' ' B' ' 33' ' ' SER . 2.9 mm? -79.85 140.78 54.6 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.483 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.12 124.73 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.839 2.359 . . . . 0.0 111.754 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.1 m -78.98 -1.71 36.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.948 -174.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -74.86 -41.73 59.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.647 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . 66.76 -171.08 0.19 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.543 0.527 . . . . 0.0 110.575 -175.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.6 ttm -130.44 -17.91 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.367 0.603 . . . . 0.0 111.047 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 37' ' ' PHE . 2.2 p-10 -80.61 1.39 30.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.284 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.5 15.02 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.523 . . . . 0.0 110.042 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.53 -62.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.086 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.91 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -101.16 -46.46 5.05 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.8 -176.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.726 ' HB3' HG21 ' B' ' 50' ' ' ILE . 42.6 mt -103.89 112.4 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 50' ' ' ILE . 30.6 t -78.61 133.57 62.76 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.654 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.486 ' HA ' HG12 ' B' ' 50' ' ' ILE . 14.8 Cg_endo -59.36 -2.3 1.3 Allowed 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.952 3.101 . . . . 0.0 115.078 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.13 -69.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 111.183 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.37 -14.06 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.104 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' B' ' 45' ' ' LEU . 42.5 pt -70.75 -15.86 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -171.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.82 -12.07 15.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.152 0.501 . . . . 0.0 112.034 -168.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.54 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 0.5 OUTLIER -96.3 -18.77 19.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.693 ' CH2' HG22 ' B' ' 50' ' ' ILE . 5.0 p-90 -131.44 8.1 4.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.808 -0.557 . . . . 0.0 112.428 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.941 ' HA ' ' HD3' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -122.13 75.95 1.27 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.342 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.472 ' HA ' HG22 ' A' ' 35' ' ' VAL . 6.3 t -174.9 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 173.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.55 ' C ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -165.37 93.34 0.58 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.261 0.553 . . . . 0.0 110.632 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.595 ' HB2' ' O ' ' A' ' 34' ' ' SER . 21.9 t70 -70.88 147.44 94.11 Favored Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.123 -171.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' B' ' 57' ' ' ASP . 86.4 Cg_exo -47.81 -16.63 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 124.213 3.276 . . . . 0.0 114.452 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.2 160.64 50.73 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.325 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 C--O 1.25 1.115 0 C-N-CA 123.139 2.559 . . . . 0.0 112.453 -178.741 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -110.73 -50.97 2.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.775 0.322 . . . . 0.0 110.432 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.94 175.17 30.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.749 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -109.71 110.58 59.38 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.383 0.611 . . . . 0.0 110.426 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.57 12.74 2.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.89 2.394 . . . . 0.0 112.54 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -106.23 17.12 23.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.861 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 45.5 tttt -92.14 123.49 62.53 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.276 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 18.5 Cg_endo -91.46 150.69 3.58 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.61 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 65.9 mtm180 -80.3 -65.99 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 171.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 1.018 ' HA3' ' HB2' ' A' ' 70' ' ' TYR . . . 66.29 -89.71 0.14 Allowed Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.389 -0.823 . . . . 0.0 115.141 166.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' ' 67' ' ' LYS . 83.8 mttt -80.18 24.04 0.45 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -168.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.621 ' HB2' ' HD1' ' A' ' 17' ' ' PHE . 72.9 mtp -54.76 139.67 38.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 151.93 25.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.438 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 110.207 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.588 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.752 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -69.99 -39.26 76.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.999 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.621 ' HD1' ' HB2' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.26 -37.78 88.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.706 -177.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.94 -50.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.814 HG21 ' HG3' ' B' ' 44' ' ' MET . 69.2 t -67.89 -43.38 85.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -53.01 61.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.582 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -63.39 -38.04 89.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.331 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.4 m -69.1 -43.4 74.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.523 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.547 HH21 ' HB2' ' A' ' 24' ' ' GLU . 4.2 ttp85 -66.95 -49.99 63.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.935 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.547 ' HB2' HH21 ' A' ' 23' ' ' ARG . 17.2 tt0 -70.46 -31.94 69.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.915 -170.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.659 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.7 tt0 -62.51 -43.64 98.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 0.0 109.49 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -67.67 -31.07 70.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.374 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.28 -25.86 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.87 -50.56 16.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HE2' ' HG2' ' A' ' 25' ' ' GLU . 55.5 mttm -61.27 -43.7 98.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -122.2 90.41 49.03 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.83 -23.5 35.23 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.915 2.41 . . . . 0.0 112.454 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -87.77 -12.6 44.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.555 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.77 112.04 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.46 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 133.24 46.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -75.19 152.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -174.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.546 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 82.1 m-20 -74.47 112.18 10.39 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 168.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' B' ' 40' ' ' MET . 56.2 t80 -55.62 -50.86 69.04 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.058 0.224 . . . . 0.0 111.452 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -56.08 -44.32 78.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 0.0 110.54 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 2.4 mm-40 -59.83 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.615 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 23.4 t80 -65.38 -46.46 80.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.655 -169.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -58.57 -43.93 89.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.684 0.278 . . . . 0.0 110.952 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 24.1 ttpp -71.0 -57.0 4.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.18 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.58 -34.23 77.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.557 -171.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.54 -34.97 65.47 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.672 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.571 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 46.7 t -61.47 -50.51 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 29.8 mt-10 -57.38 -42.77 82.8 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.512 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' A' ' 51' ' ' MET . 41.0 ttt180 -64.13 -51.62 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.277 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.19 -53.16 46.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 45' ' ' SER . 95.3 mttt -57.59 -32.31 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.208 -175.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -98.99 3.15 46.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 46.1 mtm -71.33 161.26 31.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 111.414 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -78.97 162.49 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.721 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.96 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.846 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.83 -49.45 75.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.44 -48.51 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.344 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.49 -41.27 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.88 -35.05 84.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.835 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 37.6 ttpt -59.58 -46.89 87.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -70.03 -28.51 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.28 -39.05 93.15 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 65.7 m-20 -59.87 -52.26 66.18 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.25 -30.78 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.58 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.116 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' NZ ' ' HA ' ' A' ' 61' ' ' ASP . 9.2 pttm -74.82 -26.01 59.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.252 0.549 . . . . 0.0 110.435 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.69 75.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.204 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -26.21 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -55.45 -48.96 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.739 176.286 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -70.97 -34.07 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.498 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.4 -41.76 90.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.49 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 1.018 ' HB2' ' HA3' ' A' ' 10' ' ' GLY . 75.3 t80 -56.52 -48.77 76.52 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 27.9 mt-10 -59.41 -42.16 91.16 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.909 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.791 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -72.06 -41.66 67.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.078 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.82 -30.2 66.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.721 0.296 . . . . 0.0 110.685 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.406 ' CE ' ' HA ' ' A' ' 74' ' ' MET . 2.8 mmt -64.36 -32.62 74.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.494 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 19.0 tptm -68.12 -27.38 66.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.632 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.6 p -93.88 6.53 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.262 0.553 . . . . 0.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -100.69 118.37 36.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.921 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 78' ' ' ILE . 3.9 mp -99.26 113.69 64.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 39.7 Cg_exo -57.5 145.7 87.33 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.216 2.611 . . . . 0.0 112.955 -177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 34.8 Cg_exo -59.06 144.72 99.25 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.006 2.471 . . . . 0.0 111.806 176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.76 140.41 49.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.81 -89.97 1.91 Allowed Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 175.321 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.595 0.236 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 65.1 p -89.49 -5.19 57.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.701 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 96.7 mt-30 -86.8 51.13 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.538 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -56.51 -45.28 81.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.471 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 20.0 m -66.33 -36.46 82.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.701 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 88.6 m-85 -75.09 -36.35 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.279 -174.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.4 m -76.55 -7.74 55.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -99.08 -12.21 20.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.211 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.512 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 89.1 mt -62.45 -33.56 75.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.297 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -93.02 0.4 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.206 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.466 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 65.6 mttm -82.67 25.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.65 -30.88 71.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.046 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -75.2 168.28 28.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.721 176.416 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.38 93.84 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.432 1.421 . . . . 0.0 110.418 170.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.466 ' HG3' ' HG2' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -92.31 105.64 17.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -174.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -114.09 -35.98 4.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.181 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -172.47 24.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.817 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.8 t 48.19 82.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.76 0.79 . . . . 0.0 109.854 -165.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.11 139.13 30.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.371 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m -70.92 147.86 94.27 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.682 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.25 109.07 0.66 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.14 1.894 . . . . 0.0 111.395 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.453 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 50.8 tp -100.56 121.91 51.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.82 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 35' ' ' LEU . 6.5 Cg_endo -85.49 109.18 1.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.769 2.312 . . . . 0.0 111.24 174.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 12.6 p -75.1 -24.06 58.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.932 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -119.21 15.75 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.432 0.634 . . . . 0.0 110.728 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' B' ' 36' ' ' PRO . . . -137.61 89.15 2.39 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.302 0.572 . . . . 0.0 111.086 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.433 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 84.7 mmm -130.73 4.23 4.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.536 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.92 -6.15 20.51 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.85 -42.94 38.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.307 169.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.461 ' HB3' ' CE ' ' B' ' 44' ' ' MET . 47.0 mt -106.81 -70.69 0.78 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.152 -178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.814 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.3 pmm? -130.75 -65.81 0.78 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.505 HD13 ' CH2' ' B' ' 53' ' ' TRP . 65.6 mt -123.57 140.78 52.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.768 -0.583 . . . . 0.0 111.687 -165.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.464 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 p -87.92 128.05 55.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.021 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.523 ' HA ' ' HB ' ' B' ' 50' ' ' ILE . 75.9 Cg_exo -51.78 -40.97 64.76 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.907 3.071 . . . . 0.0 114.05 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.71 -46.54 81.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 111.316 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.489 ' HB3' ' HE1' ' B' ' 53' ' ' TRP . 9.1 m-20 -75.03 -39.07 61.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' B' ' 47' ' ' PRO . 6.2 mt -49.77 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.45 -5.62 25.05 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.505 ' CH2' HD13 ' B' ' 45' ' ' LEU . 44.0 p-90 -130.98 -30.54 1.78 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.529 ' CD2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -80.22 -39.83 28.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 -172.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 15.0 t -133.7 160.95 36.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -161.13 161.39 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.399 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.41 ' HB2' ' HD2' ' B' ' 58' ' ' PRO . 3.5 p-10 -140.49 168.83 13.27 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' B' ' 57' ' ' ASP . 77.4 Cg_exo -50.86 -32.42 37.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.857 2.371 . . . . 0.0 113.401 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.477 ' HA2' ' HD3' ' B' ' 60' ' ' PRO . . . 87.88 125.08 2.16 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.164 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.477 ' HD3' ' HA2' ' B' ' 59' ' ' GLY . 8.5 Cg_exo . . . . . 0 C--O 1.25 1.093 0 C-N-CA 123.104 2.536 . . . . 0.0 111.753 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -106.85 109.98 22.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.83 -88.88 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.976 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' HB3' ' HD2' ' A' ' 7' ' ' LYS . 10.4 t0 -137.35 118.88 10.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 72.8 Cg_endo -95.58 15.36 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.013 2.475 . . . . 0.0 113.689 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -106.64 8.93 31.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.104 0.478 . . . . 0.0 111.038 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 77' ' ' TYR . 15.5 ptmt -114.58 146.94 37.02 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.237 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.88 159.14 53.06 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.619 2.212 . . . . 0.0 111.653 177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' HD2' ' OE1' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -85.62 -32.24 22.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.83 -172.66 30.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.539 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HD2' ' HG2' ' A' ' 67' ' ' LYS . 31.6 mmtp -101.67 -50.62 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm 36.57 -156.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.293 0.995 . . . . 0.0 112.797 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -121.36 170.66 9.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.52 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -57.72 -31.61 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.538 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -49.85 75.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.545 0.688 . . . . 0.0 110.019 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 1.016 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -67.32 -30.89 70.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 63' ' ' ALA . 3.3 m-85 -63.76 -34.52 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.236 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -56.99 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.257 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG13 ' CE2' ' A' ' 40' ' ' PHE . 24.3 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.456 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 7.9 tt0 -49.98 -62.4 1.59 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.761 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -66.71 -35.59 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.25 -44.03 66.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.784 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.709 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -70.79 -29.95 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.323 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.709 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 27.3 tt0 -76.13 -44.38 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.75 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -60.1 -41.32 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.661 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 13.8 t-80 -61.3 -38.45 86.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.063 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -85.18 -29.05 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.94 -43.35 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.198 0.523 . . . . 0.0 110.435 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -98.8 -2.91 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.512 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.0 m-70 -149.79 85.06 5.73 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.1 -20.89 63.44 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.728 2.286 . . . . 0.0 113.829 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -98.79 -3.95 34.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -82.51 93.26 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.45 0.643 . . . . 0.0 110.971 -176.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.44 ' OG ' ' HB2' ' B' ' 57' ' ' ASP . 5.3 m -76.53 117.98 18.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.429 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -79.67 142.58 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -96.12 130.39 43.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -47.86 -53.3 16.07 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.623 0.577 . . . . 0.0 110.977 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.63 -50.4 72.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.528 0.68 . . . . 0.0 111.252 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.475 ' CE2' HG13 ' A' ' 19' ' ' VAL . 10.1 t80 -70.24 -47.53 60.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.467 -171.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -61.16 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.83 -53.47 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.516 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.29 -40.96 42.66 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.474 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 22.4 p -63.45 -51.58 65.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.574 0.226 . . . . 0.0 111.115 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -60.05 -34.1 72.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 51' ' ' MET . 31.2 ttm180 -67.39 -47.79 69.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.593 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 47.7 t-105 -58.34 -41.96 85.79 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.95 0.405 . . . . 0.0 110.513 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 45' ' ' SER . 65.9 mttm -59.05 -33.42 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -92.56 -0.97 57.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 0.0 111.811 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' A' ' 48' ' ' TRP . 82.9 mtp -81.15 147.93 29.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.46 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -88.84 174.74 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.88 91.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.692 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -57.24 -48.59 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.645 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 1.8 mp0 -67.72 -34.38 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.927 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.77 -35.85 70.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.17 -33.89 88.45 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 16.7 tptm -55.0 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.866 0.466 . . . . 0.0 111.211 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 59.2 m-85 -78.18 -25.73 47.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.37 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.28 -33.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 110.502 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 19.1 t70 -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 mtm -75.38 -33.25 61.01 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.617 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . . . -61.39 -47.77 84.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.813 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 22.9 pttp -69.58 -25.23 63.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.4 -49.69 52.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.958 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.8 -23.38 61.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.35 0.595 . . . . 0.0 109.975 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -54.5 -50.06 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.009 173.072 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.94 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.56 -43.95 95.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.446 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 52.1 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.354 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 38.9 mt-10 -58.57 -56.04 27.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.756 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -67.98 -35.13 77.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.717 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -72.62 -24.5 61.07 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.568 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.422 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 1.6 mmt -64.47 -37.61 88.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 175.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.93 -21.61 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 p -101.73 11.25 39.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.325 0.583 . . . . 0.0 111.024 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 7' ' ' LYS . 78.8 t80 -111.67 119.83 39.99 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.946 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.2 mp -114.68 108.86 48.56 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 51.0 Cg_exo -54.63 137.14 73.09 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.876 2.384 . . . . 0.0 112.393 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 35.6 Cg_exo -59.95 150.92 75.4 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.069 2.513 . . . . 0.0 112.043 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.25 84.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.803 0.811 . . . . 0.0 111.044 -174.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.02 40.39 0.21 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.177 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 114.898 -0.651 . . . . 0.0 111.056 -173.069 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.96 0.409 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.3 t -116.63 -5.81 11.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.75 0.786 . . . . 0.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.605 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 18.6 mp0 -89.89 82.37 6.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 -173.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -87.42 -71.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.681 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 6.2 m -61.63 -36.33 80.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.161 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.605 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 50.3 m-85 -56.78 -32.53 65.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.536 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 12.1 t -93.53 -26.58 17.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.034 0.445 . . . . 0.0 110.401 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 30.0 t70 -76.41 -26.72 55.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 18' ' ' THR . 96.4 mt -57.43 -38.27 74.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.35 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.496 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 46.1 p-90 -94.98 -0.85 53.47 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.059 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 20' ' ' SER . 67.4 mttm -83.95 7.52 18.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.227 0.537 . . . . 0.0 110.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.61 4.44 36.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.925 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.537 ' O ' HD12 ' B' ' 26' ' ' LEU . 1.5 pp -102.47 127.37 30.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.778 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 10.6 Cg_endo -91.28 102.66 0.24 Allowed 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.309 2.672 . . . . 0.0 112.425 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.86 -167.63 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 10.5 t30 -72.2 -60.1 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 53.2 t30 173.23 137.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.779 0.674 . . . . 0.0 109.783 174.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.0 -29.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.3 0.571 . . . . 0.0 110.716 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.1 mt 67.11 108.56 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.961 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.477 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 45.6 m -75.5 127.8 85.32 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.311 172.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 33' ' ' SER . 51.7 Cg_exo -53.29 117.97 4.35 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.431 2.754 . . . . 0.0 113.587 -173.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 34.8 tp -108.39 129.82 23.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.597 177.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 35' ' ' LEU . 27.7 Cg_exo -63.28 153.45 74.17 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -90.89 16.22 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.46 -65.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.54 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.11 105.47 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.796 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.552 ' HA ' HD12 ' B' ' 43' ' ' LEU . 24.8 ttt -131.49 -44.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.254 0.55 . . . . 0.0 110.968 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.57 -50.13 16.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.256 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -96.9 27.9 3.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.57 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' B' ' 40' ' ' MET . 4.5 tt -55.56 -61.06 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.381 -173.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' MET . . . . . 1.016 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 2.1 mpt? -90.71 -71.21 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.181 0.515 . . . . 0.0 110.869 -177.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.426 HD23 ' HB1' ' A' ' 16' ' ' ALA . 26.6 mt -92.83 89.35 6.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.052 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 9.2 m -76.54 140.29 68.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.422 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 16.7 Cg_exo -67.12 13.23 0.15 Allowed 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 123.46 2.773 . . . . 0.0 113.503 -175.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 46' ' ' SER . 5.7 m-20 -65.06 -67.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.301 0.572 . . . . 0.0 110.24 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 12.8 t70 -102.42 -28.82 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.457 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.507 HD12 ' CD2' ' B' ' 54' ' ' PHE . 32.3 pt -66.51 -22.11 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 114.546 1.314 . . . . 0.0 114.546 -163.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' B' ' 54' ' ' PHE . 34.4 tt0 -63.86 -11.97 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 111.02 -169.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' B' ' 49' ' ' ASP . 30.6 mt-30 -60.54 -32.44 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.958 173.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.446 ' CE2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -128.14 -42.3 1.54 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.163 -177.383 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.507 ' CD2' HD12 ' B' ' 50' ' ' ILE . 1.1 t80 -91.43 104.53 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 109.716 177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.9 p -122.93 129.28 51.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.227 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -89.28 110.96 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.44 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 7.9 m-20 -62.38 133.68 94.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -175.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.09 14.54 1.52 Allowed 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.969 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.433 ' HA3' ' HD3' ' B' ' 60' ' ' PRO . . . 86.48 -117.83 4.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.796 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.433 ' HD3' ' HA3' ' B' ' 59' ' ' GLY . 4.9 Cg_exo . . . . . 0 C--O 1.25 1.087 0 C-N-CA 123.215 2.61 . . . . 0.0 112.361 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -122.71 109.64 14.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.436 ' HA2' ' NE2' ' B' ' 52' ' ' GLN . . . -108.97 55.17 0.52 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.697 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.84 116.25 64.33 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.599 ' HG2' ' HE3' ' A' ' 6' ' ' LYS . 89.5 Cg_endo -80.07 14.74 1.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.683 2.256 . . . . 0.0 113.045 -176.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.599 ' HE3' ' HG2' ' A' ' 5' ' ' PRO . 28.6 mmtp -113.61 11.12 18.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 109.583 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -85.12 151.92 57.8 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.513 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' HB3' ' OE1' ' A' ' 73' ' ' GLU . 50.0 Cg_exo -56.85 158.49 16.82 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.428 2.752 . . . . 0.0 112.44 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.919 ' HG3' ' HB2' ' B' ' 53' ' ' TRP . 19.2 ttm-85 -107.72 25.24 11.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.487 -171.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.549 ' HA3' ' OD1' ' A' ' 66' ' ' ASP . . . -96.47 -106.78 2.32 Favored Glycine 0 C--O 1.223 -0.543 0 C-N-CA 120.516 -0.85 . . . . 0.0 114.434 -172.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.742 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 2.95 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 -166.068 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' GLY . 41.3 mtm -95.32 168.99 10.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 119.337 0.971 . . . . 0.0 110.269 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -85.11 174.13 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.69 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -56.3 -36.96 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.203 -174.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.34 -53.13 60.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.849 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -72.27 -31.29 65.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 111.021 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.06 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.96 -51.86 62.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.43 -33.2 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.871 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.74 -49.59 61.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.88 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 t -60.11 -34.08 73.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.017 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.8 m -71.06 -39.31 72.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.086 0.47 . . . . 0.0 110.549 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 26.2 ttp180 -70.12 -49.04 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.832 0.825 . . . . 0.0 111.005 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -72.83 -30.75 64.28 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.901 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.8 tt0 -70.19 -29.47 66.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.063 0.458 . . . . 0.0 110.075 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.82 -35.91 75.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.44 -44.63 95.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.439 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 53.6 mtmt -55.79 -35.63 66.5 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.92 0.391 . . . . 0.0 111.47 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -94.42 -25.82 16.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 0.0 111.033 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -139.36 94.51 9.55 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.727 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.83 -14.93 45.99 Favored 'Trans proline' 0 N--CA 1.471 0.159 0 C-N-CA 122.767 2.311 . . . . 0.0 111.73 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.56 13.96 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.935 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.44 89.72 1.66 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.6 m -97.28 94.45 7.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 168.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -79.61 154.12 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 6.3 m-20 -82.98 119.58 24.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HE2' HD12 ' B' ' 50' ' ' ILE . 70.0 m-85 -54.54 -45.74 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 0.0 110.533 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.421 ' HA ' ' CG ' ' B' ' 40' ' ' MET . 7.4 p -60.35 -58.83 6.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 8.3 mm-40 -55.36 -48.84 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.107 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 31.4 t80 -70.29 -51.8 27.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.582 -171.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 t -64.39 -36.93 85.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.0 110.556 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.364 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -71.6 -37.17 71.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.7 -39.5 80.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.403 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.608 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.1 p -64.02 -48.87 74.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.634 0.254 . . . . 0.0 110.683 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.15 -37.25 86.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.595 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 51' ' ' MET . 71.3 ttt180 -62.68 -46.88 86.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -56.07 -43.69 78.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 45' ' ' SER . 87.1 mttt -66.63 -28.47 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -107.79 18.35 21.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 39.1 ttp -99.88 148.58 24.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -66.67 147.74 52.85 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.189 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -60.68 -30.87 70.19 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.06 -46.87 78.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.258 0.551 . . . . 0.0 110.741 176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.94 -37.26 64.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 57.0 mttm -57.42 -42.04 81.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.366 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.37 91.8 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.559 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -64.26 -47.13 80.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -68.97 -29.53 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -44.61 74.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.088 0.47 . . . . 0.0 109.86 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.99 -41.13 86.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.933 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.4 mtm -71.62 -30.23 65.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 66' ' ' ASP . . . -71.0 -35.25 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 50.4 mtpt -70.11 -35.93 74.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.85 81.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.082 174.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.549 ' OD1' ' HA3' ' A' ' 10' ' ' GLY . 15.1 t70 -58.35 -45.12 88.78 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 174.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 26.2 tptp -46.69 -51.57 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.554 0.534 . . . . 0.0 110.946 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -75.99 -45.34 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.695 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -60.38 -44.46 95.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.246 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 8' ' ' PRO . 68.2 t80 -61.53 -37.99 85.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.7 mt-10 -70.36 -38.03 74.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 37.8 mtp180 -65.08 -40.49 94.73 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.492 ' OE1' ' HB3' ' A' ' 8' ' ' PRO . 13.2 tt0 -63.49 -39.82 95.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.325 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.07 -26.03 68.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 47.4 mmtm -72.07 -14.15 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.871 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.9 p -112.92 -16.53 12.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -97.66 116.3 29.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.919 0.39 . . . . 0.0 110.617 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.1 mp -111.68 111.51 54.32 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.603 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.49 138.45 46.02 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.097 2.531 . . . . 0.0 111.875 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.88 109.05 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.752 2.302 . . . . 0.0 112.9 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 63.18 128.51 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.959 0.903 . . . . 0.0 113.283 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.25 -92.48 2.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 175.679 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 14' ' ' LEU . 6.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -77.34 -47.31 20.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.926 0.393 . . . . 0.0 110.189 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -102.87 150.3 23.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.46 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.3 -15.69 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.495 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.6 m -64.33 -28.98 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' B' ' 22' ' ' LEU . 80.4 m-85 -63.94 -23.51 67.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.23 -16.06 59.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.047 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.587 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 29.4 t70 -100.79 -20.16 15.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.46 . . . . 0.0 111.119 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 18' ' ' THR . 89.6 mt -61.42 -40.34 94.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.263 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -81.67 -1.87 48.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.7 0.286 . . . . 0.0 111.579 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.587 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 46.5 mtpt -79.16 24.94 0.31 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.86 10.75 4.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.368 0.604 . . . . 0.0 109.909 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 mt -95.41 152.78 39.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.167 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.28 96.57 0.28 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.546 2.164 . . . . 0.0 112.613 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -154.29 175.96 12.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.571 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -123.36 -41.44 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.536 0.208 . . . . 0.0 111.389 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -135.31 3.0 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t 64.31 61.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -169.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.9 139.77 41.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.61 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -60.16 149.97 73.08 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.984 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.43 111.1 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.662 2.241 . . . . 0.0 112.083 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.423 HD12 ' HD2' ' B' ' 36' ' ' PRO . 23.4 tp -144.61 126.8 8.19 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.034 -177.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' B' ' 39' ' ' ALA . 17.7 Cg_endo -59.07 143.86 99.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.81 2.34 . . . . 0.0 112.402 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -84.67 -10.31 57.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.921 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -122.15 23.17 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 111.272 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' B' ' 36' ' ' PRO . . . -81.88 -2.38 50.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.759 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.421 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 1.5 pmm? -109.42 -9.97 14.92 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.663 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.487 ' OD2' ' HB2' ' B' ' 45' ' ' LEU . 43.6 t0 -90.28 11.69 20.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.006 0.908 . . . . 0.0 109.5 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.0 -26.2 64.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.809 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.61 -52.91 63.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.849 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 1.6 mpt? -105.27 -71.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 0.0 111.15 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.541 HD23 ' HB1' ' A' ' 16' ' ' ALA . 59.8 mt -92.96 91.64 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.93 -172.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 50' ' ' ILE . 18.9 m -61.89 131.07 93.0 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.133 -174.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.47 ' O ' ' HG2' ' B' ' 51' ' ' GLU . 80.6 Cg_exo -49.03 -43.53 35.73 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.881 3.054 . . . . 0.0 114.539 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.36 -35.84 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.02 -42.61 20.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.448 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.889 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 15.7 pt -65.47 -19.5 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.562 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 25.8 mm-40 -62.97 -10.86 15.27 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.48 -177.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.436 ' NE2' ' HA2' ' A' ' 3' ' ' GLY . 73.9 mt-30 -101.71 -41.98 6.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.672 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.919 ' HB2' ' HG3' ' A' ' 9' ' ' ARG . 23.0 p-90 -124.94 18.47 8.51 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -171.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.889 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.5 OUTLIER -136.34 -57.58 0.75 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' B' ' 51' ' ' GLU . 1.9 m -78.28 105.29 9.42 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.068 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -71.18 89.78 0.86 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . 2.1 p-10 -85.85 137.4 35.75 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.267 -171.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 57' ' ' ASP . 95.7 Cg_endo -96.08 25.44 0.29 Allowed 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.501 2.801 . . . . 0.0 110.899 171.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.0 -140.34 16.32 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.535 2.156 . . . . 0.0 111.72 175.045 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.733 ' HE3' ' HB3' ' B' ' 56' ' ' GLU . 33.8 ttpt 61.12 45.16 9.36 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.821 0.819 . . . . 0.0 109.499 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.82 -135.61 2.53 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.756 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 7' ' ' LYS . 10.6 t70 -157.32 127.38 3.35 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 117.107 0.454 . . . . 0.0 110.695 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -87.67 6.16 5.2 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.903 2.402 . . . . 0.0 113.867 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 24.9 mmtp -123.11 17.95 9.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.19 0.519 . . . . 0.0 111.671 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' HD2' ' HB3' ' A' ' 4' ' ' ASP . 58.8 mttm -99.08 119.63 60.3 Favored Pre-proline 0 C--N 1.311 -1.071 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.078 174.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD3' ' HG2' ' A' ' 73' ' ' GLU . 11.9 Cg_endo -55.93 162.45 7.05 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.943 2.429 . . . . 0.0 111.438 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.703 ' HA ' HH11 ' A' ' 9' ' ' ARG . 2.1 tpp180 -83.09 -11.27 58.15 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.735 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 105.89 2.8 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.759 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -50.82 -45.11 59.32 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 123.99 0.464 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.7 mtm 35.26 -154.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 O-C-N 124.189 0.931 . . . . 0.0 113.359 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 m -95.94 160.14 14.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.862 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 p -61.25 -33.18 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.323 0.583 . . . . 0.0 110.539 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -51.55 68.97 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.092 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.25 -32.59 73.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.81 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.72 ' CZ ' ' HA ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -61.89 -32.91 73.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.941 178.375 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.624 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 83.3 t80 -57.59 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.992 175.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.544 HG23 ' SD ' ' B' ' 44' ' ' MET . 70.9 t -62.99 -42.3 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 110.507 176.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' B' ' 45' ' ' LEU . 9.8 tt0 -45.98 -58.29 3.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.474 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.24 -36.9 54.18 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 p -71.56 -33.02 68.74 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.249 0.547 . . . . 0.0 110.169 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.78 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 0.5 OUTLIER -62.25 -49.54 75.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.582 172.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.809 ' HG2' ' HE2' ' A' ' 28' ' ' LYS . 35.0 tt0 -70.7 -36.9 73.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.528 -177.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.09 -43.04 63.71 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.186 0.517 . . . . 0.0 110.249 171.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -61.02 -37.77 83.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.271 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -82.42 -21.54 35.68 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.24 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.809 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 63.9 mttm -69.73 -48.92 57.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.031 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -87.41 -16.97 33.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.627 -176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -139.59 81.24 20.3 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.83 -32.22 67.1 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.977 2.451 . . . . 0.0 112.418 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -75.13 -19.07 60.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.237 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.27 130.84 53.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 p -94.59 -168.89 1.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.15 157.39 40.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.458 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 38.9 m-80 -86.51 116.45 24.65 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.615 ' HE2' HD11 ' B' ' 50' ' ' ILE . 47.8 m-85 -44.77 -60.36 2.07 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.747 0.654 . . . . 0.0 112.187 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -64.97 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 -174.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 9.4 mm-40 -79.93 -51.87 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -60.91 -37.58 82.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.539 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -64.82 -50.91 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.712 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.6 ptpp? -61.2 -48.68 80.42 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -66.18 -45.14 81.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.101 -175.355 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.624 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 97.6 m -64.98 -35.31 80.77 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.441 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 32.8 t -65.17 -40.85 94.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.902 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 46.3 mt-10 -58.24 -45.02 88.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.006 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 51' ' ' MET . 70.5 ttt180 -66.38 -42.78 87.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.384 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -57.46 -49.65 75.57 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.585 0.231 . . . . 0.0 111.401 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 45' ' ' SER . 43.4 mttp -63.46 -23.31 67.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -112.98 17.93 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 0.0 111.658 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 52.1 ttp -103.15 156.82 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.849 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -64.02 145.56 55.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.505 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.9 -19.56 60.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -63.2 -45.55 91.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 2.2 mp0 -63.39 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 176.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.97 -47.51 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.272 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -29.85 75.48 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.095 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 33.3 ttpt -62.93 -44.52 95.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.502 175.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.28 -35.56 80.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 110.627 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.77 -42.45 97.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.206 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.98 -28.07 64.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.457 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.72 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . . . -61.23 -41.93 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 109.839 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -65.38 -31.51 72.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.22 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.17 -34.51 77.69 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 1.5 tmtp? -57.7 -46.5 84.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.228 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . . . -70.95 -36.77 72.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 110.744 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -66.17 -42.64 88.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 24.6 t80 -49.28 -46.59 46.58 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.07 0.948 . . . . 0.0 110.556 174.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 45.8 mt-10 -51.89 -54.05 33.72 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.152 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 3.9 mpt_? -79.43 -32.72 42.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -176.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' HD3' ' A' ' 8' ' ' PRO . 6.6 tp10 -61.68 -47.63 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.297 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.3 mmt -70.36 -28.23 64.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.432 -176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -79.77 -24.83 41.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.65 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.5 p -93.87 -8.87 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 110.698 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.571 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -91.56 115.05 27.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.189 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 78' ' ' ILE . 3.5 mp -95.61 103.22 12.04 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HD3' ' O ' ' A' ' 77' ' ' TYR . 9.3 Cg_endo -85.78 151.21 9.96 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.998 2.465 . . . . 0.0 111.975 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.14 134.12 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.475 2.116 . . . . 0.0 110.628 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -66.33 107.52 2.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.193 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.9 41.97 0.23 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.8 mp0 . . . . . 0 C--O 1.235 0.313 0 C-N-CA 123.066 0.546 . . . . 0.0 111.701 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -96.58 -15.03 21.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 61.47 26.75 16.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.181 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.14 -70.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.989 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.5 p -92.27 18.75 7.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.929 0.395 . . . . 0.0 111.556 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -58.83 -37.58 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.132 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.441 ' O ' ' HE2' ' B' ' 24' ' ' LYS . 16.4 m -73.95 -23.17 59.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.656 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 4.5 m-20 -91.05 -11.64 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.661 0.267 . . . . 0.0 111.08 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 18' ' ' THR . 95.8 mt -62.68 -38.31 89.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.268 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -92.72 -0.2 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.811 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' B' ' 20' ' ' SER . 61.6 mttm -75.18 19.83 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 111.921 -175.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.3 mt -80.79 -27.87 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.186 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.451 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.9 pp -96.14 145.34 29.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 2.0 Cg_endo -81.95 92.84 0.96 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.241 1.961 . . . . 0.0 113.549 -174.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -173.78 46.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.898 165.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 9.7 p30 -130.44 -44.1 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.287 -177.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 7.0 t30 167.42 -35.13 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.188 -175.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t 70.29 100.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.026 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.16 76.55 9.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.352 0.596 . . . . 0.0 109.649 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -77.46 116.0 54.16 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.775 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -87.47 -173.65 1.1 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.947 2.432 . . . . 0.0 112.512 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.513 HD12 ' HD2' ' B' ' 36' ' ' PRO . 19.9 tp -78.59 130.12 72.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.513 ' HD2' HD12 ' B' ' 35' ' ' LEU . 10.5 Cg_endo -58.31 108.89 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.452 2.101 . . . . 0.0 111.399 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -112.82 25.68 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.294 -171.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -72.24 -22.91 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.82 139.5 38.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB2' ' B' ' 43' ' ' LEU . 49.2 ttm -112.68 -37.53 4.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.317 0.58 . . . . 0.0 110.037 175.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.0 -46.75 67.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.382 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -88.73 25.77 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.079 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' B' ' 40' ' ' MET . 0.5 OUTLIER -63.75 -38.35 90.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.323 -177.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 19' ' ' VAL . 14.7 mtm -131.54 -71.75 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.518 HD23 ' HB1' ' A' ' 16' ' ' ALA . 41.3 mt -89.11 103.46 16.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.454 ' O ' HG12 ' B' ' 50' ' ' ILE . 74.9 m -71.73 110.82 8.47 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.355 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.45 ' HA ' HD11 ' B' ' 50' ' ' ILE . 87.1 Cg_exo -46.78 -34.12 15.21 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.559 3.506 . . . . 0.0 114.791 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -71.01 -41.73 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.66 -33.23 14.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.373 -174.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.741 HD12 ' CD2' ' B' ' 54' ' ' PHE . 22.6 pt -73.87 -17.74 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.408 -177.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -48.31 -37.63 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.142 0.901 . . . . 0.0 112.184 -170.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.636 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 19.4 pt20 -59.22 -25.18 63.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.636 ' CD1' ' HG3' ' B' ' 52' ' ' GLN . 7.3 p-90 -131.19 -18.59 2.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.78 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 1.8 t80 -77.75 -50.78 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -108.62 145.37 35.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.961 -170.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.733 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 66.8 mt-10 -68.41 128.71 37.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.46 132.58 85.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.36 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.29 -16.44 51.65 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.623 2.882 . . . . 0.0 114.047 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.11 106.33 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.088 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo . . . . . 0 C--O 1.246 0.885 0 C-N-CA 123.31 2.673 . . . . 0.0 111.667 177.756 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -164.27 -0.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 110.994 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.28 -153.35 30.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.462 -175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.21 125.84 34.0 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.47 15.39 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.923 2.415 . . . . 0.0 113.722 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -121.0 27.16 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.356 0.598 . . . . 0.0 110.412 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -90.35 116.49 66.5 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.163 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -90.1 154.22 4.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.914 2.41 . . . . 0.0 111.129 173.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.674 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 2.8 mtm180 -83.24 -25.7 31.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.298 0.57 . . . . 0.0 110.954 -178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.641 ' HA2' ' CD1' ' A' ' 70' ' ' TYR . . . 116.87 -136.24 12.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.709 173.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -92.64 22.69 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.023 0.439 . . . . 0.0 110.513 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.674 ' SD ' ' HB3' ' A' ' 9' ' ' ARG . 76.9 mtp -59.95 112.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 13.3 t -84.66 -173.5 4.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.441 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.503 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 7.3 p -52.88 -39.47 62.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.479 0.712 . . . . 0.0 112.653 -172.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.6 -63.77 1.18 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.96 0.41 . . . . 0.0 110.707 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.87 -28.46 67.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 111.066 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -70.58 -37.89 74.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.023 -178.651 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -46.78 70.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.305 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' B' ' 44' ' ' MET . 0.2 OUTLIER -63.57 -53.58 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.049 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -58.9 -45.83 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.982 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 12.4 t -62.07 -32.4 72.93 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.2 -176.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.23 -37.85 18.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.433 0.635 . . . . 0.0 110.382 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' A' ' 35' ' ' VAL . 19.2 ttt180 -66.23 -49.36 67.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.641 -177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 29.4 tt0 -73.05 -31.83 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 21' ' ' THR . 9.7 tp10 -57.56 -49.36 76.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.317 0.579 . . . . 0.0 109.756 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -66.37 -29.37 69.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.257 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -71.22 -38.52 72.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.917 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 34.8 mmtp -71.09 -51.16 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.067 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 54.1 mtmt -70.76 -27.37 63.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -177.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -130.78 90.77 39.08 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 0.0 111.094 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -67.47 -26.87 40.19 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.632 2.221 . . . . 0.0 110.561 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -72.92 -19.36 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.443 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.67 117.54 34.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.029 0.443 . . . . 0.0 111.696 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -97.68 160.61 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.115 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG21 ' HE ' ' A' ' 23' ' ' ARG . 5.5 m -123.33 145.64 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -80.86 136.35 36.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 4.3 m-30 -58.63 -56.15 25.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.216 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.597 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 24.9 m -73.55 -46.08 49.6 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.116 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -54.64 -56.7 16.34 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.051 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.31 -40.1 89.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.551 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -72.3 -26.29 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 38' ' ' SER . 98.4 mttt -56.6 -68.26 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.662 0.744 . . . . 0.0 110.323 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -69.52 -25.6 64.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.076 -173.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.6 m -72.2 -34.84 68.69 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.994 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.768 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 19.6 t -61.77 -52.95 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.7 -37.74 76.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 51' ' ' MET . 66.0 ttt180 -58.16 -51.73 68.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.937 176.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -56.08 -42.77 77.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.012 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.768 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.2 mttt -66.03 -19.19 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.149 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -126.46 18.5 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.66 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 38.7 ttp -93.24 151.62 19.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.01 0.433 . . . . 0.0 111.557 -172.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -61.97 149.78 39.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.759 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.97 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.732 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -56.3 -50.6 70.96 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.633 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.59 -48.79 80.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.344 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -56.93 -50.47 72.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.345 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.69 -40.27 94.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.001 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -60.24 -48.39 81.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.15 -37.13 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.532 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 36.0 tt0 -65.93 -35.35 80.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.604 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.747 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 14.4 t70 -69.65 -45.08 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.75 -29.34 69.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.18 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.276 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.747 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 55.4 pttt -60.94 -31.26 70.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 110.163 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -64.23 -58.98 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.115 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 69' ' ' ARG . 3.6 t70 -69.2 -26.25 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 5.6 tmtm? -61.69 -46.57 89.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.679 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.56 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' ' HA ' ' A' ' 66' ' ' ASP . 96.9 mtt180 -71.53 -31.19 66.76 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.864 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.641 ' CD1' ' HA2' ' A' ' 10' ' ' GLY . 35.6 t80 -58.07 -41.25 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 109.674 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -59.55 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -67.83 -41.95 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.42 -173.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.97 -47.78 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.805 ' HA ' ' HB3' ' A' ' 77' ' ' TYR . 26.9 ttm -70.17 -11.29 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.488 . . . . 0.0 110.391 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.21 -35.7 76.01 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.637 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.6 p -108.13 -17.83 13.93 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.693 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.805 ' HB3' ' HA ' ' A' ' 74' ' ' MET . 58.1 t80 -87.56 125.28 34.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.05 110.69 62.2 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.151 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 41.9 Cg_exo -57.16 132.46 51.44 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.471 2.114 . . . . 0.0 111.315 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 53.2 Cg_exo -55.15 129.4 35.07 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.902 2.401 . . . . 0.0 112.526 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -75.21 98.34 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.64 161.25 8.65 Favored Glycine 0 N--CA 1.435 -1.423 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.79 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' B' ' 17' ' ' GLU . 5.1 mp . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -43.98 53.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 16' ' ' GLN . 26.3 pt20 -130.16 70.75 1.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 175.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.795 ' HG3' ' H ' ' B' ' 18' ' ' THR . 6.5 pt-20 -62.89 -69.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.318 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.795 ' H ' ' HG3' ' B' ' 17' ' ' GLU . 28.1 p -107.05 -4.6 18.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.385 0.612 . . . . 0.0 110.563 176.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.467 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 96.1 m-85 -67.34 -23.17 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.71 -173.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 p -75.86 -27.22 57.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.28 0.562 . . . . 0.0 110.947 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.28 -4.45 29.28 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.324 -174.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' B' ' 19' ' ' PHE . 90.6 mt -59.44 -39.76 84.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -87.42 -9.64 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.332 0.587 . . . . 0.0 109.999 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -93.62 24.44 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.931 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.12 -18.15 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.138 0.494 . . . . 0.0 110.442 176.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.9 OUTLIER -80.97 138.41 49.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.768 173.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.6 Cg_exo -75.0 94.97 0.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.246 1.964 . . . . 0.0 111.697 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -142.1 169.21 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.573 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 28.6 p-10 -69.15 -37.55 78.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 57.1 t30 163.22 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.707 0.803 . . . . 0.0 109.192 -173.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t 76.06 87.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.448 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.444 ' O ' ' HD3' ' B' ' 34' ' ' PRO . 90.7 mt -116.06 22.3 13.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.691 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.9 t -108.88 98.91 32.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.363 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' B' ' 32' ' ' LEU . 87.1 Cg_endo -92.84 162.0 2.73 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.811 2.34 . . . . 0.0 111.967 176.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.8 tp -97.98 108.69 47.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 120.62 7.57 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.636 2.224 . . . . 0.0 111.707 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.3 p -89.6 -34.55 16.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.222 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -110.63 -70.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.582 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.88 175.05 8.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.379 0.609 . . . . 0.0 112.389 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.472 ' HB2' HD23 ' B' ' 43' ' ' LEU . 0.0 OUTLIER -113.99 30.62 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.44 177.039 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.531 ' HB3' ' HD2' ' B' ' 47' ' ' PRO . 3.7 p30 -54.14 -12.8 0.68 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.502 -175.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.51 -33.04 74.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.329 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' B' ' 40' ' ' MET . 3.9 mm? -62.7 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -168.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.462 ' HB3' HG21 ' A' ' 19' ' ' VAL . 35.0 mtm -137.97 -73.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.428 HD23 ' HB1' ' A' ' 16' ' ' ALA . 23.3 mt -96.01 97.5 9.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.581 ' O ' HG13 ' B' ' 50' ' ' ILE . 9.8 m -63.41 116.26 24.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.213 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 88.4 Cg_exo -47.7 -40.02 30.87 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.779 2.986 . . . . 0.0 113.81 -176.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.24 -40.96 87.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.8 -25.07 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.444 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 46' ' ' SER . 16.0 mt -47.43 -44.15 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.06 -15.73 15.19 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.15 -27.14 26.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.667 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -127.99 -60.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.988 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' B' ' 54' ' ' PHE . 0.1 OUTLIER -79.35 107.77 12.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.708 . . . . 0.0 109.237 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 8.3 p -123.25 117.96 26.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.969 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -91.61 145.27 24.73 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -138.61 145.08 44.84 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -90.82 25.87 0.5 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.21 2.607 . . . . 0.0 113.195 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' B' ' 60' ' ' PRO . . . 98.31 116.34 3.61 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.218 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' B' ' 59' ' ' GLY . 9.4 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 123.559 2.84 . . . . 0.0 111.923 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -122.22 109.91 15.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.12 5.92 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.881 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -78.15 115.85 54.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.1 14.27 2.41 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.598 2.199 . . . . 0.0 113.126 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -119.78 21.35 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.306 0.574 . . . . 0.0 110.575 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HB3' ' HD2' ' A' ' 8' ' ' PRO . 86.7 mttt -91.98 167.93 14.11 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.124 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 7' ' ' LYS . 53.3 Cg_exo -54.47 174.21 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.064 2.509 . . . . 0.0 113.366 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -68.28 -47.87 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.465 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.41 162.72 11.84 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.36 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -96.03 24.84 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.243 0.617 . . . . 0.0 110.643 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.439 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.9 mtm -55.01 156.94 3.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.224 -173.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -82.74 -179.13 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -56.19 -43.51 78.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.223 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.53 -43.56 75.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -177.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HA ' ' CB ' ' B' ' 44' ' ' MET . . . -77.2 -36.3 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.38 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -36.61 84.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.573 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 59' ' ' PHE . 39.9 t80 -55.75 -53.63 54.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.862 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG21 ' SD ' ' B' ' 44' ' ' MET . 4.7 t -68.47 -32.5 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.985 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -64.5 -56.07 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.381 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 10.1 t -61.93 -37.05 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.716 -173.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 p -78.19 -37.9 44.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.791 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.021 0.438 . . . . 0.0 110.356 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.45 -29.12 61.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 21' ' ' THR . 6.7 tp10 -60.87 -42.44 97.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.356 0.598 . . . . 0.0 109.964 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -76.06 -25.24 55.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.498 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -79.96 -27.4 39.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -74.39 -45.72 44.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.711 0.291 . . . . 0.0 110.683 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -77.45 -21.82 52.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.838 0.352 . . . . 0.0 111.577 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 41.5 m-70 -136.08 88.36 22.14 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.551 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.15 -16.84 49.89 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.663 2.242 . . . . 0.0 111.081 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -86.08 -26.56 25.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.717 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 30' ' ' HIS . . . -100.79 91.67 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 t -83.22 125.06 31.15 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 m -72.71 141.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.216 0.531 . . . . 0.0 110.792 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 38.8 t30 -79.12 138.25 37.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.891 175.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.818 ' HE2' HD11 ' B' ' 50' ' ' ILE . 58.1 m-85 -59.82 -42.99 94.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.658 0.266 . . . . 0.0 111.163 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.435 ' HB2' ' ND2' ' A' ' 36' ' ' ASN . 13.4 m -61.39 -45.75 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.534 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 36' ' ' ASN . 8.3 pt-20 -69.15 -48.0 63.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -172.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 6.8 t80 -78.04 -53.53 7.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.371 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' B' ' 41' ' ' ASP . 71.0 m -55.54 -44.2 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.396 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -59.89 -56.76 17.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.657 0.265 . . . . 0.0 111.177 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 56.2 pttt -69.73 -35.86 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.674 -175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.24 -29.06 64.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.452 0.168 . . . . 0.0 111.452 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.743 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 66.7 m -58.3 -58.43 8.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -66.3 -33.23 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.715 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' O ' ' HG3' ' A' ' 51' ' ' MET . 77.4 ttt180 -57.88 -50.23 74.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.701 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -63.65 -42.36 98.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.743 ' HG3' ' O ' ' A' ' 45' ' ' SER . 62.9 mttm -62.63 -21.44 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.593 -174.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -104.38 7.31 35.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 82.9 mtp -88.27 159.29 18.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.692 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -86.75 158.13 19.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.98 70.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.114 -0.493 . . . . 0.0 112.26 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -62.81 -44.28 96.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.093 0.473 . . . . 0.0 111.078 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.67 -35.71 60.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -62.35 -35.25 78.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.068 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.03 76.89 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.359 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -63.2 -46.43 87.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.515 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 96.4 m-85 -72.41 -25.11 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.828 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -74.14 -37.26 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.887 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 20.7 t70 -66.53 -46.66 75.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.042 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.515 ' HG2' ' HA ' ' A' ' 59' ' ' PHE . 24.1 ptp -63.72 -26.35 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.23 -46.84 31.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.57 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 21.4 pttp -72.13 -24.83 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 110.597 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.43 74.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.402 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -55.49 -47.02 76.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.491 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -65.23 -37.96 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.527 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 16.6 tpt180 -64.35 -47.5 79.1 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -53.14 -48.26 68.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 123.634 0.584 . . . . 0.0 110.952 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 8.6 mm-40 -57.58 -53.4 58.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.164 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 28.3 mmt180 -68.77 -32.93 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.541 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' ARG . 6.0 tp10 -62.05 -55.33 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.499 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -73.68 -13.25 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.29 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 66.2 mmtt -70.66 -27.61 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.046 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 t -115.1 -46.51 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.882 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 t80 44.46 111.77 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.399 1.079 . . . . 0.0 113.261 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.0 mp -97.78 110.9 57.33 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.63 113.25 0.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.626 2.217 . . . . 0.0 112.22 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 169.05 22.44 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.696 2.264 . . . . 0.0 111.798 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -76.99 75.87 3.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 110.992 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.13 51.5 0.61 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 174.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 114.918 -0.641 . . . . 0.0 111.216 -171.45 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -80.11 -17.08 53.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -129.63 128.38 42.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.227 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.27 -10.75 59.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.329 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 4.9 m -56.17 -34.04 65.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.66 0.266 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.21 -30.97 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 0.0 111.082 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -86.17 -3.0 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.395 0.617 . . . . 0.0 110.028 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -100.9 -11.05 20.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.829 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 18' ' ' THR . 87.2 mt -66.74 -42.95 85.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.403 -173.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 p-90 -76.92 -0.54 24.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.97 26.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.435 . . . . 0.0 111.599 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.44 -18.94 59.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.109 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.522 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.1 pp -102.85 128.19 28.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.7 Cg_exo -79.12 94.33 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.605 2.203 . . . . 0.0 112.942 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 179.55 -166.26 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 170.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -102.72 -63.54 1.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -169.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -125.53 15.54 8.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.382 -169.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t 65.21 81.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.77 0.795 . . . . 0.0 110.632 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.0 mt -119.5 35.7 4.75 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.585 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -59.04 127.96 84.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.607 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.19 -173.08 1.63 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.169 2.579 . . . . 0.0 112.278 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.465 HD12 ' HD2' ' B' ' 36' ' ' PRO . 52.7 tp -55.26 120.42 30.32 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.504 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.465 ' HD2' HD12 ' B' ' 35' ' ' LEU . 48.4 Cg_exo -57.9 120.3 8.12 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.97 2.446 . . . . 0.0 112.222 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 21.3 t -83.15 41.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.402 0.62 . . . . 0.0 110.237 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -71.89 -40.82 68.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.768 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.59 96.58 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.606 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.771 ' HG3' ' H ' ' B' ' 41' ' ' ASP . 21.0 ptt? -123.79 -71.87 0.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.771 ' H ' ' HG3' ' B' ' 40' ' ' MET . 21.2 m-20 -120.65 11.58 11.28 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.429 0.633 . . . . 0.0 110.345 -176.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -78.69 35.2 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.827 0.823 . . . . 0.0 110.096 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' B' ' 41' ' ' ASP . 6.7 mt -66.84 -38.09 85.72 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.728 -171.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.534 ' SD ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.69 -70.66 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.567 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' B' ' 50' ' ' ILE . 39.6 mt -88.22 88.88 7.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.653 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.426 ' O ' HG12 ' B' ' 50' ' ' ILE . 23.9 m -81.33 132.79 54.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.489 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -43.03 -44.53 9.47 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.221 3.281 . . . . 0.0 115.081 -171.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.03 -48.45 73.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.495 0.664 . . . . 0.0 111.109 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.818 HD11 ' HE2' ' A' ' 37' ' ' PHE . 21.1 pt -91.71 -9.01 10.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.752 -171.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.507 ' HG3' ' HB ' ' B' ' 55' ' ' THR . 36.2 tt0 -61.92 -6.32 2.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.345 0.593 . . . . 0.0 111.44 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.624 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 7.7 mt-30 -77.46 -34.87 54.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.164 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.624 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -130.97 -44.87 1.04 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.099 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.547 ' HD2' HD13 ' B' ' 45' ' ' LEU . 0.3 OUTLIER -67.27 -60.03 2.93 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' B' ' 51' ' ' GLU . 1.7 m -75.64 142.24 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.265 -173.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.45 161.86 20.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.121 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.65 135.55 94.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.326 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.51 -13.57 34.09 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.454 2.77 . . . . 0.0 113.543 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 -150.83 8.06 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 C--O 1.249 1.05 0 C-N-CA 122.936 2.424 . . . . 0.0 111.618 178.717 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.244 -0.343 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -91.45 -77.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.028 0.442 . . . . 0.0 110.448 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.06 156.03 15.84 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.631 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 23.3 t70 -152.79 130.59 6.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 6.3 Cg_exo -73.69 -3.68 14.14 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.938 2.425 . . . . 0.0 113.356 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -110.8 11.22 22.53 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.772 0.796 . . . . 0.0 109.875 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -93.88 115.07 64.66 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.035 174.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 3.2 Cg_exo -70.9 168.3 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.608 2.205 . . . . 0.0 111.692 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 25.2 ttm105 -67.66 -26.79 66.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.542 . . . . 0.0 110.06 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' HA2' ' CE1' ' A' ' 70' ' ' TYR . . . 116.59 -135.74 12.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.717 170.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HE2' ' HG3' ' A' ' 67' ' ' LYS . 16.3 ptpt -130.94 24.93 4.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.081 -174.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.492 ' HE3' ' HB1' ' A' ' 16' ' ' ALA . 62.7 mtp -32.14 126.93 0.25 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.75 1.281 . . . . 0.0 112.666 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -66.95 169.99 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.299 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 p -54.81 -39.09 68.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.719 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.1 t80 -57.22 -48.24 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.405 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.708 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -76.37 -29.5 57.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 110.538 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 42.3 t80 -55.04 -47.41 74.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.319 173.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 15' ' ' TYR . 2.6 t -68.08 -40.5 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.462 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -56.71 -56.72 17.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.412 HG21 ' HE1' ' A' ' 59' ' ' PHE . 7.8 t -62.34 -37.0 83.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.161 0.288 . . . . 0.0 111.614 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.3 m -72.78 -43.74 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.362 0.601 . . . . 0.0 110.358 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.717 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 19.3 ttp85 -67.63 -54.8 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.923 -177.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.798 ' HG2' ' HE3' ' A' ' 28' ' ' LYS . 33.0 tt0 -74.78 -37.57 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.084 -167.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.67 -39.32 94.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.678 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -62.17 -31.69 72.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.92 -38.18 37.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.798 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 96.6 mttt -71.35 -36.18 71.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.92 -23.05 31.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -139.84 83.9 15.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.33 -38.86 32.36 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.611 2.208 . . . . 0.0 111.759 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.86 -26.57 66.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.454 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.35 105.82 12.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.2 m -89.7 137.91 31.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 m -88.37 155.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.572 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 43.6 m-80 -88.64 116.16 26.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -52.41 -59.59 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -64.05 -35.48 80.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.355 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 20.5 mm-40 -67.94 -47.65 68.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.92 -53.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.324 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -61.55 -36.24 80.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -63.06 -55.15 27.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.418 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.83 -35.12 72.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.336 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 84.5 m -73.25 -27.89 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 91.6 p -64.64 -50.6 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.63 -37.73 88.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -55.66 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.692 175.104 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -52.97 -53.38 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 45' ' ' SER . 94.0 mttt -63.5 -30.54 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.936 -172.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.7 p -96.81 2.72 52.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 50.6 mtm -75.02 168.73 19.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.324 175.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 p -83.63 161.85 20.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.05 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.595 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -67.86 -32.75 73.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.02 -46.89 27.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.84 -39.13 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.786 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.57 -36.94 93.36 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.5 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -58.95 -50.87 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HE1' HG21 ' A' ' 21' ' ' THR . 94.0 m-85 -65.69 -31.24 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.925 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.704 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 35.2 tt0 -69.21 -40.47 77.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.485 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 28.9 t70 -70.79 -27.28 63.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.91 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtm -77.52 -33.03 54.42 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.092 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.86 -48.08 69.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.037 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 18.7 ptmt -61.62 -34.01 74.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.503 177.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.88 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.643 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 13.2 t0 -66.8 -42.55 85.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 36.8 ttpt -56.14 -42.45 76.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.671 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -62.45 -49.68 74.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.384 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 66' ' ' ASP . 34.4 ptt180 -66.34 -30.23 70.58 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.236 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 87.1 t80 -66.11 -50.63 63.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.45 174.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 17.8 mm-40 -56.03 -37.58 69.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.831 0.452 . . . . 0.0 110.649 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 24.6 mmt180 -57.78 -54.17 49.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.01 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.8 -15.71 47.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.457 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -28.83 68.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 0.0 110.066 176.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 3.7 mmmp? -67.58 -30.85 70.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.229 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 p -99.52 -37.38 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.853 0.358 . . . . 0.0 111.701 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -88.74 109.13 19.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.112 0.482 . . . . 0.0 110.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.9 mp -110.22 106.07 57.72 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 73.1 Cg_exo -48.79 134.1 27.88 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.331 2.688 . . . . 0.0 113.33 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 23.4 Cg_exo -64.24 144.32 86.09 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.269 2.646 . . . . 0.0 112.071 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -105.26 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.483 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.11 39.55 0.55 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.934 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.643 0.259 . . . . 0.0 110.332 -178.808 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.777 0.322 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -62.54 -15.99 53.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 111.055 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -65.39 -13.32 58.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.09 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.04 -26.52 67.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -89.49 -40.55 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.134 0.492 . . . . 0.0 110.219 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -67.27 -28.28 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.5 p -64.3 -35.88 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 0.1 OUTLIER -83.62 -5.11 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.786 0.327 . . . . 0.0 111.275 -176.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.87 -27.49 63.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.531 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 67.0 p-90 -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.716 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 51.0 mtpt -76.38 20.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 111.781 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.3 -18.79 41.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 109.879 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 23' ' ' TRP . 2.6 pp -81.08 154.29 72.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.012 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.22 95.07 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.095 1.863 . . . . 0.0 111.242 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -143.93 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.714 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -52.31 -48.02 65.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.687 0.28 . . . . 0.0 110.305 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' B' ' 31' ' ' VAL . 8.5 t30 -179.5 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.636 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' B' ' 30' ' ' ASN . 86.2 t 74.29 94.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.327 0.584 . . . . 0.0 109.965 -171.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -105.7 119.4 39.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.464 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -95.36 123.98 54.95 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.18 118.45 4.59 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.85 2.366 . . . . 0.0 112.306 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 tp -156.44 108.28 2.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.34 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.38 117.63 4.1 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.485 2.124 . . . . 0.0 112.458 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.8 m -83.96 -16.09 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -97.88 9.68 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . 68.76 170.38 0.29 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.876 0.735 . . . . 0.0 110.969 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' ASP . 37.3 ttp -130.95 -2.11 4.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' B' ' 43' ' ' LEU . 44.2 m-20 17.04 21.05 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 -170.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' B' ' 40' ' ' MET . 10.2 p-10 -71.41 27.15 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.354 0.662 . . . . 0.0 112.146 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' B' ' 41' ' ' ASP . 91.9 mt -61.83 -35.31 77.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.662 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.708 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -130.34 -71.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.161 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 10.9 mt -92.45 109.75 21.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.335 -174.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 6.1 p -70.82 128.54 90.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.888 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 52.1 Cg_exo -56.58 -25.06 57.13 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.207 2.605 . . . . 0.0 112.632 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.99 -45.06 95.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -94.88 -22.92 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.312 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' B' ' 54' ' ' PHE . 3.6 mt -47.61 -41.81 8.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.878 -1.056 . . . . 0.0 113.586 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.84 -5.92 3.27 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -97.46 -40.57 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -130.7 -16.33 3.37 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -170.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.726 ' HB3' HG23 ' B' ' 50' ' ' ILE . 1.6 t80 -89.77 -35.59 15.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -173.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 25.3 p -89.47 -177.57 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.98 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -72.0 159.52 34.07 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.958 0.409 . . . . 0.0 110.903 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -138.87 139.06 22.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.84 -24.59 76.56 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.35 2.7 . . . . 0.0 113.101 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.38 122.78 5.83 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.884 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.702 2.268 . . . . 0.0 112.256 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 CA--C 1.53 0.3 0 N-CA-C 111.516 -0.225 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -47.84 -49.73 28.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.74 -176.99 17.51 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.443 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -106.15 22.41 15.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.464 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 43.7 mtm -51.46 145.3 8.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.446 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.33 167.49 12.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.554 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.705 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 22.1 p -54.67 -31.18 57.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.02 0.438 . . . . 0.0 111.429 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -48.91 71.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.978 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -74.06 -30.23 62.29 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.57 -32.59 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 57.4 t80 -58.41 -50.97 71.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.258 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.44 -43.1 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -58.63 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.748 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -66.66 -33.31 75.37 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.045 0.216 . . . . 0.0 111.37 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.5 t -75.97 -45.87 32.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.624 0.25 . . . . 0.0 110.999 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.817 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -65.74 -31.34 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.817 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 28.2 tt0 -77.61 -45.22 25.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.831 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.564 ' HG3' ' HE2' ' A' ' 29' ' ' LYS . 3.4 tp10 -54.51 -41.5 69.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -66.98 -35.3 79.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.215 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 8.1 tmtm? -78.68 -28.17 45.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.873 0.368 . . . . 0.0 110.293 -175.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.557 ' HD2' ' HG2' ' A' ' 24' ' ' GLU . 42.3 mtpt -70.94 -44.36 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 51.0 mttm -69.47 -35.89 76.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -123.0 88.77 50.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.96 -14.04 40.04 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.819 2.346 . . . . 0.0 111.103 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -85.27 -10.96 55.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.615 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.19 159.72 17.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.937 0.875 . . . . 0.0 112.718 -171.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 t -135.64 -164.01 1.48 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 170.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.88 167.59 25.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 13.3 m120 -93.9 120.92 34.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -52.96 -55.6 22.26 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.555 0.534 . . . . 0.0 112.186 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.2 m -63.59 -39.61 94.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 67.0 mm-40 -65.1 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.401 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.07 -41.5 92.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.545 -171.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -66.87 -33.78 76.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.644 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -72.24 -45.14 61.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 49.1 mttm -58.26 -45.45 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.139 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.81 -41.67 95.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.158 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.682 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 41.6 t -54.74 -56.42 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.2 -42.33 93.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.104 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -65.68 -43.48 89.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.072 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.0 t-105 -56.47 -50.5 71.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.25 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' ' 45' ' ' SER . 55.8 mttm -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.862 -174.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -84.24 -0.21 51.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.8 mtm -83.09 171.77 13.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.876 0.37 . . . . 0.0 111.158 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -90.9 166.58 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.246 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -55.81 -46.31 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.188 0.518 . . . . 0.0 110.737 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 29.2 mt-10 -73.51 -45.16 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.348 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -61.68 -42.72 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.838 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.57 75.61 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.25 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 36.4 ttpt -61.47 -48.37 81.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.257 175.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 93.2 m-85 -67.32 -35.71 79.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.705 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 7.4 tp10 -61.95 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.848 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -62.71 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.818 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.11 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.463 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.44 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.956 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.848 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 9.7 mtmp? -60.85 -39.43 89.12 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 110.647 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.88 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.29 -35.35 58.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.48 -46.12 84.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.844 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.82 82.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.362 . . . . 0.0 111.023 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.9 ttm105 -66.09 -37.45 85.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.95 -47.41 86.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.389 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.646 179.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.546 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 98.1 mt-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.499 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -104.56 -25.4 12.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.912 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 99.7 m-85 -65.79 -31.61 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.4 t -81.97 -3.18 53.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.5 -18.12 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 76.6 mt -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.666 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -82.69 -11.26 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.722 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -82.48 25.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.127 0.489 . . . . 0.0 111.719 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -88.04 7.55 30.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.501 0.667 . . . . 0.0 109.557 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.75 158.73 80.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.624 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -66.33 95.76 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 121.808 1.672 . . . . 0.0 111.536 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.661 HD22 ' SD ' ' B' ' 44' ' ' MET . 1.3 tt . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.661 ' SD ' HD22 ' B' ' 43' ' ' LEU . 3.4 mpp? -99.6 -71.34 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.953 -175.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.829 ' HB3' HG21 ' B' ' 50' ' ' ILE . 41.9 mt -94.53 99.0 11.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.857 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.446 ' O ' HG12 ' B' ' 50' ' ' ILE . 8.9 t -76.72 133.98 69.59 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.907 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.431 ' HA ' HG12 ' B' ' 50' ' ' ILE . 36.7 Cg_exo -57.24 -36.18 99.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.644 2.896 . . . . 0.0 114.255 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.78 -49.34 48.83 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -93.09 -41.07 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.829 HG21 ' HB3' ' B' ' 45' ' ' LEU . 45.4 pt -67.32 -32.4 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -166.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.453 ' N ' HG13 ' B' ' 50' ' ' ILE . 31.7 mt-10 -58.24 -17.98 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -167.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.76 -37.64 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.865 0.364 . . . . 0.0 111.02 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -123.07 -29.13 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' B' ' 50' ' ' ILE . 8.2 t80 . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.454 -0.822 0 N-CA-C 110.387 -0.659 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.729 ' HD3' HE22 ' A' ' 20' ' ' GLN . 1.5 ptp180 -65.41 -18.47 65.34 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.855 0.36 . . . . 0.0 110.981 -176.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.27 -168.34 20.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.515 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -108.67 26.16 10.87 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 24.1 mtm -44.59 141.65 1.93 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.844 -177.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -76.41 179.9 5.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.585 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 59' ' ' PHE . 13.1 m -57.92 -25.86 61.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.145 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -61.64 -54.46 42.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.314 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.49 -32.38 73.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 1.4 m-85 -64.76 -36.38 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 21' ' ' THR . 60.1 t80 -54.71 -54.48 41.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 110.621 175.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.47 -42.94 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.729 HE22 ' HD3' ' A' ' 9' ' ' ARG . 25.7 tt0 -64.43 -47.69 78.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.811 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.505 HG21 ' HE1' ' A' ' 59' ' ' PHE . 12.6 t -58.23 -35.56 71.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 p -87.88 -36.68 17.04 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.412 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.666 HH21 ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.64 -42.16 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.122 0.487 . . . . 0.0 110.942 -179.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 tp10 -74.88 -45.5 42.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.196 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.55 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 9.6 tp10 -59.97 -28.97 68.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.461 0.648 . . . . 0.0 110.241 176.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -66.0 -40.76 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.286 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.666 ' HD3' HH21 ' A' ' 23' ' ' ARG . 9.9 mtpm? -82.71 -19.98 36.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.006 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 25' ' ' GLU . 29.3 mtpp -64.71 -54.29 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.006 0.431 . . . . 0.0 110.003 173.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HE3' ' HG3' ' A' ' 25' ' ' GLU . 9.5 mtmp? -77.93 -32.93 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.733 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' LYS . 88.6 m-70 -125.99 90.83 49.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.668 0.271 . . . . 0.0 110.49 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.38 -12.75 32.26 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 123.032 2.488 . . . . 0.0 111.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.78 7.1 47.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.161 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.59 89.64 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.163 0.506 . . . . 0.0 112.209 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -84.77 135.05 34.28 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.99 152.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.635 0.255 . . . . 0.0 110.54 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.57 132.15 34.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.31 0.381 . . . . 0.0 111.542 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 p -66.62 -52.49 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.143 0.497 . . . . 0.0 110.722 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.4 -60.13 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.659 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -68.53 -52.44 32.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.046 -169.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -67.38 -36.65 81.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.572 -174.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.04 -48.36 80.61 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.079 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 18.3 ptpt -67.64 -32.88 73.88 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.495 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.74 -40.52 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.644 0.259 . . . . 0.0 110.4 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.676 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 29.2 t -55.25 -52.29 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.865 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.75 -41.0 97.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.117 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 94.5 mtt180 -63.32 -46.25 87.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.281 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -59.16 -46.45 88.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.709 0.29 . . . . 0.0 111.317 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 45' ' ' SER . 42.0 mttm -69.5 -18.86 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -109.99 22.41 15.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.5 ttp -108.15 151.75 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.12 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -68.52 159.5 31.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.058 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -72.15 -24.22 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.54 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.1 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 37.1 mm-40 -67.66 -38.34 83.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.083 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 63.9 mttm -59.46 -43.35 93.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.02 -30.95 79.34 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.972 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 29.3 ttpt -62.33 -44.8 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 0.0 110.388 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.505 ' HE1' HG21 ' A' ' 21' ' ' THR . 61.6 m-85 -70.04 -20.66 63.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.644 ' HG2' ' HE2' ' A' ' 64' ' ' LYS . 39.7 tt0 -71.19 -38.32 72.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.183 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.32 -47.44 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.236 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.433 ' HE3' ' HA ' ' A' ' 59' ' ' PHE . 23.0 ptp -63.63 -31.45 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.56 91.48 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.302 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HE2' ' HG2' ' A' ' 60' ' ' GLU . 66.3 mttm -67.27 -37.53 83.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.99 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.585 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 2.6 m-20 -75.38 -17.57 60.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.379 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.07 -41.09 78.01 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.8 -36.7 84.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 174.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' ASP . 36.3 ttm180 -65.65 -37.15 85.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.391 175.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.37 -48.59 79.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.297 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.434 178.356 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' B' ' 19' ' ' PHE . 95.9 mt-30 . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.86 -68.8 0.16 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.821 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.6 p -85.26 -16.55 39.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 0.0 110.837 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' B' ' 16' ' ' GLN . 83.7 m-85 -69.52 -28.57 66.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.497 -175.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.5 p -80.05 -3.7 49.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.881 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 17.2 t70 -96.91 -18.07 19.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.147 0.498 . . . . 0.0 110.24 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.15 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.043 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -93.25 0.48 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.077 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' B' ' 21' ' ' ASP . 63.5 mttm -80.89 24.92 0.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.054 0.454 . . . . 0.0 111.168 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.43 -23.63 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.945 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.494 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -101.25 109.16 57.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.664 173.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.56 95.57 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.385 2.057 . . . . 0.0 112.277 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.803 175.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.708 ' HB2' ' SD ' ' B' ' 44' ' ' MET . 60.3 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.742 0.306 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.708 ' SD ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -131.1 -47.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.755 -178.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.746 ' HB3' HG21 ' B' ' 50' ' ' ILE . 16.0 mt -97.44 100.5 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 m -95.03 139.53 22.11 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.418 -173.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' B' ' 50' ' ' ILE . 97.4 Cg_exo -45.21 -30.91 5.53 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.001 3.134 . . . . 0.0 112.828 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.8 -49.21 29.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.01 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -102.01 -41.76 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.225 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 1.064 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 29.7 pt -64.76 -25.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -166.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.98 -5.94 5.37 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.506 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 26.7 mm-40 -86.54 -28.15 23.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -131.85 -52.4 0.98 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.935 -173.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 1.064 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 N--CA 1.46 -0.469 0 N-CA-C 110.78 -0.508 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.61 ' HD2' ' OE1' ' A' ' 20' ' ' GLN . 34.0 ttm180 -86.86 24.19 1.55 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -164.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.13 -173.71 39.67 Favored Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.201 -0.999 . . . . 0.0 114.044 170.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -115.23 25.72 10.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.021 -0.589 . . . . 0.0 109.988 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.8 mtm -44.45 153.67 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -70.6 163.25 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.191 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -56.65 -35.74 68.71 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.914 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -48.13 74.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.47 0.652 . . . . 0.0 109.89 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.91 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -65.84 -38.32 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.482 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.743 ' HA ' HE21 ' A' ' 20' ' ' GLN . 5.7 m-85 -59.99 -41.21 91.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.48 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.403 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 21.4 t80 -52.18 -57.53 9.36 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.523 0.514 . . . . 0.0 111.064 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG13 ' CE1' ' A' ' 40' ' ' PHE . 78.6 t -65.4 -40.72 89.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.743 HE21 ' HA ' ' A' ' 17' ' ' PHE . 6.6 tt0 -58.46 -52.28 66.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.576 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -63.19 -40.23 96.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.701 0.286 . . . . 0.0 111.115 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 m -72.44 -23.31 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.456 0.646 . . . . 0.0 110.137 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.941 ' HD3' ' HA ' ' B' ' 54' ' ' PHE . 47.1 ttm-85 -80.92 -56.08 4.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.714 -175.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 17.7 tt0 -67.93 -36.16 79.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.252 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.05 -42.72 81.05 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.779 0.8 . . . . 0.0 109.39 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.68 -44.45 96.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.145 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.263 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.1 mmtt -53.23 -41.81 65.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.868 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -94.44 -23.51 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -130.91 89.11 43.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.22 -30.42 4.28 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.103 2.535 . . . . 0.0 113.578 -174.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.42 16.34 26.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.921 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.63 159.97 17.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.1 m -144.4 110.53 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.066 -0.397 . . . . 0.0 111.136 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.34 152.01 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.137 0.494 . . . . 0.0 111.579 -177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 43.1 m-80 -84.17 119.23 24.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 165.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -55.56 -51.07 68.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.731 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 m -63.05 -33.2 74.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 111.65 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 36' ' ' ASN . 13.5 mm-40 -63.77 -60.33 3.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.406 0.622 . . . . 0.0 111.264 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.475 ' CE1' HG13 ' A' ' 19' ' ' VAL . 3.5 t80 -64.71 -42.9 94.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.41 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 p -60.73 -52.52 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.588 -175.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.87 -53.29 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.601 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.56 -34.85 79.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -90.53 -25.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.5 p -63.73 -51.44 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.15 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.605 ' O ' HG22 ' A' ' 50' ' ' THR . 42.2 mt-10 -68.04 -31.34 70.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.472 HH11 ' HD2' ' A' ' 47' ' ' ARG . 20.2 ttt180 -56.22 -39.95 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 174.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.595 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 20.4 t-105 -66.93 -47.69 70.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.9 mttt -56.11 -44.41 79.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.542 -173.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 46' ' ' GLU . 6.8 t -98.93 14.64 28.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.643 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.53 ' O ' ' HE3' ' A' ' 56' ' ' LYS . 24.0 ttm -72.95 158.23 35.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.704 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' HG2' ' A' ' 51' ' ' MET . 3.4 m -57.87 131.25 49.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.133 172.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -31.75 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.37 67.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.088 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -71.18 -38.62 72.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 48' ' ' TRP . 98.4 mttt -54.93 -42.22 71.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.258 0.552 . . . . 0.0 109.862 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.5 77.92 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.375 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -63.31 -43.21 98.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.151 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 94.3 m-85 -69.89 -32.08 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -68.34 -37.45 80.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.332 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.57 -49.69 74.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.4 mtm -64.15 -33.28 75.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.718 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.65 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -68.81 -40.61 79.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.48 80.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.431 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.5 m-20 -71.81 -35.24 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.174 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 25.6 ttpp -64.13 -46.49 83.9 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.86 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.33 86.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.015 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -64.68 -42.46 95.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 14.0 t80 -56.4 -52.6 64.04 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 175.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.226 -176.46 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.764 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 60.1 mt-30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.49 0.662 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.09 -62.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.091 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 3.3 p -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.764 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 97.0 m-85 -65.37 -32.58 74.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -76.96 -32.79 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 110.055 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.36 -5.81 48.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.611 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 18' ' ' THR . 90.0 mt -67.8 -35.81 79.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.26 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -98.3 -2.11 40.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -89.93 24.99 2.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.44 1.29 42.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 156.88 41.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.01 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.15 94.11 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.349 1.366 . . . . 0.0 111.551 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.725 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 120.775 0.322 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.91 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -101.16 -46.46 5.05 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.8 -176.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.726 ' HB3' HG21 ' B' ' 50' ' ' ILE . 42.6 mt -103.89 112.4 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 50' ' ' ILE . 30.6 t -78.61 133.57 62.76 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.654 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.486 ' HA ' HG12 ' B' ' 50' ' ' ILE . 14.8 Cg_endo -59.36 -2.3 1.3 Allowed 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.952 3.101 . . . . 0.0 115.078 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.13 -69.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 111.183 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.37 -14.06 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.104 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' B' ' 45' ' ' LEU . 42.5 pt -70.75 -15.86 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -171.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.82 -12.07 15.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.152 0.501 . . . . 0.0 112.034 -168.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.54 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 0.5 OUTLIER -96.3 -18.77 19.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.693 ' CH2' HG22 ' B' ' 50' ' ' ILE . 5.0 p-90 -131.44 8.1 4.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.808 -0.557 . . . . 0.0 112.428 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.941 ' HA ' ' HD3' ' A' ' 23' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 N-CA-C 113.334 0.475 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.61 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 65.9 mtm180 -80.3 -65.99 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 171.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 1.018 ' HA3' ' HB2' ' A' ' 70' ' ' TYR . . . 66.29 -89.71 0.14 Allowed Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.389 -0.823 . . . . 0.0 115.141 166.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' ' 67' ' ' LYS . 83.8 mttt -80.18 24.04 0.45 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -168.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.621 ' HB2' ' HD1' ' A' ' 17' ' ' PHE . 72.9 mtp -54.76 139.67 38.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 151.93 25.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.438 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 110.207 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.588 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.752 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -69.99 -39.26 76.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.999 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.621 ' HD1' ' HB2' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.26 -37.78 88.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.706 -177.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.94 -50.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.814 HG21 ' HG3' ' B' ' 44' ' ' MET . 69.2 t -67.89 -43.38 85.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -53.01 61.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.582 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -63.39 -38.04 89.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.331 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.4 m -69.1 -43.4 74.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.523 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.547 HH21 ' HB2' ' A' ' 24' ' ' GLU . 4.2 ttp85 -66.95 -49.99 63.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.935 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.547 ' HB2' HH21 ' A' ' 23' ' ' ARG . 17.2 tt0 -70.46 -31.94 69.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.915 -170.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.659 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.7 tt0 -62.51 -43.64 98.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 0.0 109.49 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -67.67 -31.07 70.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.374 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.28 -25.86 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.87 -50.56 16.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HE2' ' HG2' ' A' ' 25' ' ' GLU . 55.5 mttm -61.27 -43.7 98.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -122.2 90.41 49.03 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.83 -23.5 35.23 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.915 2.41 . . . . 0.0 112.454 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -87.77 -12.6 44.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.555 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.77 112.04 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.46 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 133.24 46.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -75.19 152.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -174.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.546 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 10.3 m120 -74.47 112.18 10.39 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 168.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.62 -50.86 69.04 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.058 0.224 . . . . 0.0 111.452 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -56.08 -44.32 78.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 0.0 110.54 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 2.4 mm-40 -59.83 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.615 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 23.4 t80 -65.38 -46.46 80.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.655 -169.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -58.57 -43.93 89.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.684 0.278 . . . . 0.0 110.952 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 24.1 ttpp -71.0 -57.0 4.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.18 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.58 -34.23 77.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.557 -171.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.54 -34.97 65.47 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.672 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.571 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 46.7 t -61.47 -50.51 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 29.8 mt-10 -57.38 -42.77 82.8 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.512 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' A' ' 51' ' ' MET . 41.0 ttt180 -64.13 -51.62 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.277 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.19 -53.16 46.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 45' ' ' SER . 95.3 mttt -57.59 -32.31 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.208 -175.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -98.99 3.15 46.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 46.1 mtm -71.33 161.26 31.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 111.414 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -78.97 162.49 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.721 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.96 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.846 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.83 -49.45 75.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.44 -48.51 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.344 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.49 -41.27 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.88 -35.05 84.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.835 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 37.6 ttpt -59.58 -46.89 87.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -70.03 -28.51 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.28 -39.05 93.15 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 65.7 m-20 -59.87 -52.26 66.18 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.25 -30.78 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.58 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.116 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' NZ ' ' HA ' ' A' ' 61' ' ' ASP . 9.2 pttm -74.82 -26.01 59.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.252 0.549 . . . . 0.0 110.435 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.69 75.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.204 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -26.21 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -55.45 -48.96 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.739 176.286 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.07 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.498 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.4 -41.76 90.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.49 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 1.018 ' HB2' ' HA3' ' A' ' 10' ' ' GLY . 75.3 t80 -56.52 -48.77 76.52 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 27.9 mt-10 . . . . . 0 N--CA 1.45 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.909 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.701 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 25.6 mt-30 . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -56.51 -45.28 81.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.471 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 20.0 m -66.33 -36.46 82.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.701 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 88.6 m-85 -75.09 -36.35 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.279 -174.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.4 m -76.55 -7.74 55.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -99.08 -12.21 20.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.211 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.512 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 89.1 mt -62.45 -33.56 75.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.297 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -93.02 0.4 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.206 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.466 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 65.6 mttm -82.67 25.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.65 -30.88 71.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.046 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -75.2 168.28 28.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.721 176.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.38 93.84 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.432 1.421 . . . . 0.0 110.418 170.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.466 ' HG3' ' HG2' ' B' ' 24' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -174.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.461 ' HB3' ' CE ' ' B' ' 44' ' ' MET . 47.0 mt . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 111.152 0.056 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.814 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.3 pmm? -130.75 -65.81 0.78 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.505 HD13 ' CH2' ' B' ' 53' ' ' TRP . 65.6 mt -123.57 140.78 52.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.768 -0.583 . . . . 0.0 111.687 -165.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.464 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 p -87.92 128.05 55.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.021 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.523 ' HA ' ' HB ' ' B' ' 50' ' ' ILE . 75.9 Cg_exo -51.78 -40.97 64.76 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.907 3.071 . . . . 0.0 114.05 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.71 -46.54 81.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 111.316 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.489 ' HB3' ' HE1' ' B' ' 53' ' ' TRP . 9.1 m-20 -75.03 -39.07 61.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' B' ' 47' ' ' PRO . 6.2 mt -49.77 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.45 -5.62 25.05 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.505 ' CH2' HD13 ' B' ' 45' ' ' LEU . 44.0 p-90 -130.98 -30.54 1.78 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.529 ' CD2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--O 1.234 0.307 0 CA-C-O 120.717 0.216 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.606 ' HD2' ' NE2' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -85.62 -32.24 22.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.83 -172.66 30.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.539 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HD2' ' HG2' ' A' ' 67' ' ' LYS . 31.6 mmtp -101.67 -50.62 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm 36.57 -156.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.293 0.995 . . . . 0.0 112.797 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -121.36 170.66 9.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.52 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -57.72 -31.61 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.538 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -49.85 75.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.545 0.688 . . . . 0.0 110.019 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 1.016 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -67.32 -30.89 70.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 63' ' ' ALA . 3.3 m-85 -63.76 -34.52 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.236 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -56.99 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.257 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG13 ' CE2' ' A' ' 40' ' ' PHE . 24.3 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.606 ' NE2' ' HD2' ' A' ' 9' ' ' ARG . 14.8 tt0 -49.98 -62.4 1.59 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.761 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -66.71 -35.59 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.25 -44.03 66.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.784 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.709 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -70.79 -29.95 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.323 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.709 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 27.3 tt0 -76.13 -44.38 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.75 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -60.1 -41.32 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.661 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 13.8 t-80 -61.3 -38.45 86.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.063 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -85.18 -29.05 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.94 -43.35 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.198 0.523 . . . . 0.0 110.435 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -98.8 -2.91 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.512 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.0 m-70 -149.79 85.06 5.73 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.1 -20.89 63.44 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.728 2.286 . . . . 0.0 113.829 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -98.79 -3.95 34.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -82.51 93.26 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.45 0.643 . . . . 0.0 110.971 -176.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -76.53 117.98 18.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.429 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -79.67 142.58 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -96.12 130.39 43.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -47.86 -53.3 16.07 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.623 0.577 . . . . 0.0 110.977 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.63 -50.4 72.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.528 0.68 . . . . 0.0 111.252 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.475 ' CE2' HG13 ' A' ' 19' ' ' VAL . 10.1 t80 -70.24 -47.53 60.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.467 -171.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -61.16 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.83 -53.47 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.516 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.29 -40.96 42.66 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.474 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 22.4 p -63.45 -51.58 65.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.574 0.226 . . . . 0.0 111.115 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -60.05 -34.1 72.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 51' ' ' MET . 31.2 ttm180 -67.39 -47.79 69.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.593 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 47.7 t-105 -58.34 -41.96 85.79 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.95 0.405 . . . . 0.0 110.513 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 45' ' ' SER . 65.9 mttm -59.05 -33.42 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -92.56 -0.97 57.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 0.0 111.811 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' A' ' 48' ' ' TRP . 82.9 mtp -81.15 147.93 29.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.46 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -88.84 174.74 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.88 91.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.692 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -57.24 -48.59 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.645 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 1.8 mp0 -67.72 -34.38 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.927 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.77 -35.85 70.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.17 -33.89 88.45 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 16.7 tptm -55.0 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.866 0.466 . . . . 0.0 111.211 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 59.2 m-85 -78.18 -25.73 47.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.37 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.28 -33.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 110.502 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 19.1 t70 -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 mtm -75.38 -33.25 61.01 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.617 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . . . -61.39 -47.77 84.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.813 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 22.9 pttp -69.58 -25.23 63.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.4 -49.69 52.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.958 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.8 -23.38 61.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.35 0.595 . . . . 0.0 109.975 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -54.5 -50.06 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.009 173.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.94 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.56 -43.95 95.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.446 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 52.1 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.354 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 38.9 mt-10 . . . . . 0 C--O 1.238 0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.756 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.605 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 18.6 mp0 . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.461 0.172 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -87.42 -71.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.681 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 6.2 m -61.63 -36.33 80.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.161 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.605 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 50.3 m-85 -56.78 -32.53 65.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.536 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 12.1 t -93.53 -26.58 17.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.034 0.445 . . . . 0.0 110.401 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 30.0 t70 -76.41 -26.72 55.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 18' ' ' THR . 96.4 mt -57.43 -38.27 74.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.35 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.496 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 46.1 p-90 -94.98 -0.85 53.47 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.059 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 20' ' ' SER . 67.4 mttm -83.95 7.52 18.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.227 0.537 . . . . 0.0 110.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.61 4.44 36.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.925 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.537 ' O ' HD12 ' B' ' 26' ' ' LEU . 1.5 pp -102.47 127.37 30.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.778 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 10.6 Cg_endo -91.28 102.66 0.24 Allowed 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.309 2.672 . . . . 0.0 112.425 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.24 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.494 ' HB3' ' SD ' ' B' ' 44' ' ' MET . 4.5 tt . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.477 0.18 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 1.016 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 2.1 mpt? -90.71 -71.21 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.181 0.515 . . . . 0.0 110.869 -177.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.426 HD23 ' HB1' ' A' ' 16' ' ' ALA . 26.6 mt -92.83 89.35 6.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.052 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 9.2 m -76.54 140.29 68.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.422 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 16.7 Cg_exo -67.12 13.23 0.15 Allowed 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 123.46 2.773 . . . . 0.0 113.503 -175.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 46' ' ' SER . 5.7 m-20 -65.06 -67.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.301 0.572 . . . . 0.0 110.24 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 12.8 t70 -102.42 -28.82 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.457 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.507 HD12 ' CD2' ' B' ' 54' ' ' PHE . 32.3 pt -66.51 -22.11 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 114.546 1.314 . . . . 0.0 114.546 -163.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' B' ' 54' ' ' PHE . 34.4 tt0 -63.86 -11.97 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 111.02 -169.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' B' ' 49' ' ' ASP . 30.6 mt-30 -60.54 -32.44 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.958 173.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.446 ' CE2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -128.14 -42.3 1.54 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.163 -177.383 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.507 ' CD2' HD12 ' B' ' 50' ' ' ILE . 1.1 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HB2' ' CE1' ' A' ' 70' ' ' TYR . 50.0 Cg_exo . . . . . 0 C--O 1.234 0.319 0 CA-C-O 120.923 0.301 . . . . 0.0 112.44 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.919 ' HG3' ' HB2' ' B' ' 53' ' ' TRP . 19.2 ttm-85 -107.72 25.24 11.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.487 -171.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.549 ' HA3' ' OD1' ' A' ' 66' ' ' ASP . . . -96.47 -106.78 2.32 Favored Glycine 0 C--O 1.223 -0.543 0 C-N-CA 120.516 -0.85 . . . . 0.0 114.434 -172.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.742 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 2.95 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 -166.068 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' GLY . 41.3 mtm -95.32 168.99 10.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 119.337 0.971 . . . . 0.0 110.269 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -85.11 174.13 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.69 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -56.3 -36.96 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.203 -174.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.34 -53.13 60.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.849 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -72.27 -31.29 65.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 111.021 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.06 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.96 -51.86 62.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.43 -33.2 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.871 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -67.74 -49.59 61.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.88 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 t -60.11 -34.08 73.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.017 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.8 m -71.06 -39.31 72.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.086 0.47 . . . . 0.0 110.549 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 26.2 ttp180 -70.12 -49.04 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.832 0.825 . . . . 0.0 111.005 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -72.83 -30.75 64.28 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.901 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.8 tt0 -70.19 -29.47 66.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.063 0.458 . . . . 0.0 110.075 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD2' ' HB2' ' A' ' 30' ' ' HIS . 4.5 t-160 -59.82 -35.91 75.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.44 -44.63 95.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.439 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 53.6 mtmt -55.79 -35.63 66.5 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.92 0.391 . . . . 0.0 111.47 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -94.42 -25.82 16.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 0.0 111.033 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' HB2' ' HD2' ' A' ' 26' ' ' HIS . 61.4 m-70 -139.36 94.51 9.55 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.727 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.83 -14.93 45.99 Favored 'Trans proline' 0 N--CA 1.471 0.159 0 C-N-CA 122.767 2.311 . . . . 0.0 111.73 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.56 13.96 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.935 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.44 89.72 1.66 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.6 m -97.28 94.45 7.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 168.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -79.61 154.12 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -82.98 119.58 24.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HE2' HD12 ' B' ' 50' ' ' ILE . 70.0 m-85 -54.54 -45.74 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 0.0 110.533 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 p -60.35 -58.83 6.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 8.3 mm-40 -55.36 -48.84 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.107 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 31.4 t80 -70.29 -51.8 27.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.582 -171.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 t -64.39 -36.93 85.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.0 110.556 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.364 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -71.6 -37.17 71.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.7 -39.5 80.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.403 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.608 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.1 p -64.02 -48.87 74.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.634 0.254 . . . . 0.0 110.683 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.15 -37.25 86.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.595 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 51' ' ' MET . 71.3 ttt180 -62.68 -46.88 86.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -56.07 -43.69 78.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 45' ' ' SER . 87.1 mttt -66.63 -28.47 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -107.79 18.35 21.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 39.1 ttp -99.88 148.58 24.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -66.67 147.74 52.85 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.189 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -60.68 -30.87 70.19 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.06 -46.87 78.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.258 0.551 . . . . 0.0 110.741 176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.94 -37.26 64.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 57.0 mttm -57.42 -42.04 81.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.366 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.37 91.8 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.559 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -64.26 -47.13 80.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -68.97 -29.53 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -44.61 74.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.088 0.47 . . . . 0.0 109.86 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.99 -41.13 86.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.933 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.4 mtm -71.62 -30.23 65.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 66' ' ' ASP . . . -71.0 -35.25 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 50.4 mtpt -70.11 -35.93 74.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.85 81.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.082 174.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.549 ' OD1' ' HA3' ' A' ' 10' ' ' GLY . 15.1 t70 -58.35 -45.12 88.78 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 174.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 26.2 tptp -46.69 -51.57 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.554 0.534 . . . . 0.0 110.946 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.99 -45.34 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -60.38 -44.46 95.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.246 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 8' ' ' PRO . 68.2 t80 -61.53 -37.99 85.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.778 0.323 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.3 -15.69 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.495 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.6 m -64.33 -28.98 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' B' ' 22' ' ' LEU . 80.4 m-85 -63.94 -23.51 67.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.23 -16.06 59.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.047 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.587 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 29.4 t70 -100.79 -20.16 15.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.46 . . . . 0.0 111.119 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 18' ' ' THR . 89.6 mt -61.42 -40.34 94.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.263 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -81.67 -1.87 48.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.7 0.286 . . . . 0.0 111.579 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.587 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 46.5 mtpt -79.16 24.94 0.31 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.86 10.75 4.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.368 0.604 . . . . 0.0 109.909 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 mt -95.41 152.78 39.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.167 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.28 96.57 0.28 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.546 2.164 . . . . 0.0 112.613 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.571 177.717 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.849 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 1.6 mpt? -105.27 -71.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 0.0 111.15 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.541 HD23 ' HB1' ' A' ' 16' ' ' ALA . 59.8 mt -92.96 91.64 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.93 -172.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 50' ' ' ILE . 18.9 m -61.89 131.07 93.0 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.133 -174.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.47 ' O ' ' HG2' ' B' ' 51' ' ' GLU . 80.6 Cg_exo -49.03 -43.53 35.73 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.881 3.054 . . . . 0.0 114.539 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.36 -35.84 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.02 -42.61 20.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.448 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.889 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 15.7 pt -65.47 -19.5 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 47' ' ' PRO . 25.8 mm-40 -62.97 -10.86 15.27 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.48 -177.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -101.71 -41.98 6.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.672 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.919 ' HB2' ' HG3' ' A' ' 9' ' ' ARG . 23.0 p-90 -124.94 18.47 8.51 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -171.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.889 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.774 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 C--O 1.236 0.394 0 N-CA-C 111.438 -0.254 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.703 ' HA ' HH11 ' A' ' 9' ' ' ARG . 2.1 tpp180 -83.09 -11.27 58.15 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.735 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 105.89 2.8 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.759 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -50.82 -45.11 59.32 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 123.99 0.464 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.7 mtm 35.26 -154.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 O-C-N 124.189 0.931 . . . . 0.0 113.359 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 m -95.94 160.14 14.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.862 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 p -61.25 -33.18 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.323 0.583 . . . . 0.0 110.539 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -51.55 68.97 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.092 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.25 -32.59 73.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.81 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.72 ' CZ ' ' HA ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -61.89 -32.91 73.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.941 178.375 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.624 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 83.3 t80 -57.59 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.992 175.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.544 HG23 ' SD ' ' B' ' 44' ' ' MET . 70.9 t -62.99 -42.3 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 110.507 176.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.432 ' NE2' ' HG3' ' A' ' 9' ' ' ARG . 20.0 tt0 -45.98 -58.29 3.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.474 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.24 -36.9 54.18 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 p -71.56 -33.02 68.74 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.249 0.547 . . . . 0.0 110.169 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.78 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 0.5 OUTLIER -62.25 -49.54 75.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.582 172.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.809 ' HG2' ' HE2' ' A' ' 28' ' ' LYS . 35.0 tt0 -70.7 -36.9 73.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.528 -177.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.09 -43.04 63.71 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.186 0.517 . . . . 0.0 110.249 171.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -61.02 -37.77 83.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.271 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -82.42 -21.54 35.68 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.24 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.809 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 63.9 mttm -69.73 -48.92 57.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.031 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -87.41 -16.97 33.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.627 -176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -139.59 81.24 20.3 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.83 -32.22 67.1 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.977 2.451 . . . . 0.0 112.418 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -75.13 -19.07 60.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.237 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.27 130.84 53.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 p -94.59 -168.89 1.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.15 157.39 40.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.458 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 38.9 m-80 -86.51 116.45 24.65 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.615 ' HE2' HD11 ' B' ' 50' ' ' ILE . 47.8 m-85 -44.77 -60.36 2.07 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.747 0.654 . . . . 0.0 112.187 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -64.97 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 -174.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 9.4 mm-40 -79.93 -51.87 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -60.91 -37.58 82.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.539 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -64.82 -50.91 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.712 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.6 ptpp? -61.2 -48.68 80.42 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -66.18 -45.14 81.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.101 -175.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.624 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 97.6 m -64.98 -35.31 80.77 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.441 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 32.8 t -65.17 -40.85 94.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.902 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 46.3 mt-10 -58.24 -45.02 88.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.006 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 51' ' ' MET . 70.5 ttt180 -66.38 -42.78 87.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.384 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -57.46 -49.65 75.57 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.585 0.231 . . . . 0.0 111.401 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 45' ' ' SER . 43.4 mttp -63.46 -23.31 67.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -112.98 17.93 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 0.0 111.658 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 52.1 ttp -103.15 156.82 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.849 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -64.02 145.56 55.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.505 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.9 -19.56 60.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -63.2 -45.55 91.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 2.2 mp0 -63.39 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 176.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.97 -47.51 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.272 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -29.85 75.48 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.095 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 33.3 ttpt -62.93 -44.52 95.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.502 175.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.28 -35.56 80.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 110.627 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.77 -42.45 97.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.206 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.98 -28.07 64.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.457 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.72 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . . . -61.23 -41.93 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 109.839 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -65.38 -31.51 72.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.22 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.17 -34.51 77.69 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 1.5 tmtp? -57.7 -46.5 84.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.228 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . . . -70.95 -36.77 72.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 110.744 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -66.17 -42.64 88.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 24.6 t80 -49.28 -46.59 46.58 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.07 0.948 . . . . 0.0 110.556 174.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 45.8 mt-10 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.152 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.14 -70.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.989 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.5 p -92.27 18.75 7.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.929 0.395 . . . . 0.0 111.556 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -58.83 -37.58 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.132 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.441 ' O ' ' HE2' ' B' ' 24' ' ' LYS . 16.4 m -73.95 -23.17 59.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.656 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 4.5 m-20 -91.05 -11.64 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.661 0.267 . . . . 0.0 111.08 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 18' ' ' THR . 95.8 mt -62.68 -38.31 89.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.268 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -92.72 -0.2 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.811 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' B' ' 20' ' ' SER . 61.6 mttm -75.18 19.83 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 111.921 -175.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.3 mt -80.79 -27.87 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.186 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.451 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.9 pp -96.14 145.34 29.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 2.0 Cg_endo -81.95 92.84 0.96 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.241 1.961 . . . . 0.0 113.549 -174.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.898 165.06 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.323 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 19' ' ' VAL . 14.7 mtm -131.54 -71.75 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.518 HD23 ' HB1' ' A' ' 16' ' ' ALA . 41.3 mt -89.11 103.46 16.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.454 ' O ' HG12 ' B' ' 50' ' ' ILE . 74.9 m -71.73 110.82 8.47 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.355 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.45 ' HA ' HD11 ' B' ' 50' ' ' ILE . 87.1 Cg_exo -46.78 -34.12 15.21 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.559 3.506 . . . . 0.0 114.791 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -71.01 -41.73 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.66 -33.23 14.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.373 -174.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.741 HD12 ' CD2' ' B' ' 54' ' ' PHE . 22.6 pt -73.87 -17.74 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.408 -177.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -48.31 -37.63 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.142 0.901 . . . . 0.0 112.184 -170.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.636 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 19.4 pt20 -59.22 -25.18 63.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.636 ' CD1' ' HG3' ' B' ' 52' ' ' GLN . 7.3 p-90 -131.19 -18.59 2.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.78 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 1.8 t80 . . . . . 0 C--N 1.329 -0.318 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.129 -0.374 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.674 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 2.8 mtm180 -83.24 -25.7 31.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.298 0.57 . . . . 0.0 110.954 -178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.641 ' HA2' ' CD1' ' A' ' 70' ' ' TYR . . . 116.87 -136.24 12.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.709 173.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -92.64 22.69 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.023 0.439 . . . . 0.0 110.513 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.674 ' SD ' ' HB3' ' A' ' 9' ' ' ARG . 76.9 mtp -59.95 112.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 13.3 t -84.66 -173.5 4.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.441 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.503 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 7.3 p -52.88 -39.47 62.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.479 0.712 . . . . 0.0 112.653 -172.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.6 -63.77 1.18 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.96 0.41 . . . . 0.0 110.707 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.87 -28.46 67.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 111.066 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -70.58 -37.89 74.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.023 -178.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -46.78 70.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.305 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' B' ' 44' ' ' MET . 0.2 OUTLIER -63.57 -53.58 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.049 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.811 HE22 ' HB2' ' B' ' 54' ' ' PHE . 5.5 tp-100 -58.9 -45.83 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.982 -173.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 12.4 t -62.07 -32.4 72.93 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.2 -176.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.23 -37.85 18.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.433 0.635 . . . . 0.0 110.382 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' A' ' 35' ' ' VAL . 19.2 ttt180 -66.23 -49.36 67.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.641 -177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 29.4 tt0 -73.05 -31.83 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 21' ' ' THR . 9.7 tp10 -57.56 -49.36 76.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.317 0.579 . . . . 0.0 109.756 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -66.37 -29.37 69.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.257 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -71.22 -38.52 72.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.917 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 34.8 mmtp -71.09 -51.16 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.067 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 54.1 mtmt -70.76 -27.37 63.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -177.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -130.78 90.77 39.08 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 0.0 111.094 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -67.47 -26.87 40.19 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.632 2.221 . . . . 0.0 110.561 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -72.92 -19.36 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.443 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.67 117.54 34.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.029 0.443 . . . . 0.0 111.696 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -97.68 160.61 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.115 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG21 ' HE ' ' A' ' 23' ' ' ARG . 5.5 m -123.33 145.64 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -80.86 136.35 36.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 4.3 m-30 -58.63 -56.15 25.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.216 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.597 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 24.9 m -73.55 -46.08 49.6 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.116 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -54.64 -56.7 16.34 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.051 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.31 -40.1 89.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.551 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -72.3 -26.29 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 38' ' ' SER . 98.4 mttt -56.6 -68.26 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.662 0.744 . . . . 0.0 110.323 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -69.52 -25.6 64.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.076 -173.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.6 m -72.2 -34.84 68.69 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.994 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.768 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 19.6 t -61.77 -52.95 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.7 -37.74 76.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 51' ' ' MET . 66.0 ttt180 -58.16 -51.73 68.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.937 176.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -56.08 -42.77 77.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.012 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.768 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.2 mttt -66.03 -19.19 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.149 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -126.46 18.5 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.66 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 38.7 ttp -93.24 151.62 19.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.01 0.433 . . . . 0.0 111.557 -172.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -61.97 149.78 39.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.759 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.97 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.732 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -56.3 -50.6 70.96 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.633 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.59 -48.79 80.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.344 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -56.93 -50.47 72.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.345 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.69 -40.27 94.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.001 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -60.24 -48.39 81.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.15 -37.13 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.532 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 36.0 tt0 -65.93 -35.35 80.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.604 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.747 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 14.4 t70 -69.65 -45.08 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.75 -29.34 69.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.18 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.276 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.747 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 55.4 pttt -60.94 -31.26 70.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 110.163 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -64.23 -58.98 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.115 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 69' ' ' ARG . 3.6 t70 -69.2 -26.25 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 5.6 tmtm? -61.69 -46.57 89.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.679 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.56 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' ' HA ' ' A' ' 66' ' ' ASP . 96.9 mtt180 -71.53 -31.19 66.76 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.864 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.641 ' CD1' ' HA2' ' A' ' 10' ' ' GLY . 35.6 t80 -58.07 -41.25 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 109.674 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.948 176.765 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 16' ' ' GLN . 26.3 pt20 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.795 ' HG3' ' H ' ' B' ' 18' ' ' THR . 6.5 pt-20 -62.89 -69.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.318 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.795 ' H ' ' HG3' ' B' ' 17' ' ' GLU . 28.1 p -107.05 -4.6 18.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.385 0.612 . . . . 0.0 110.563 176.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.467 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 96.1 m-85 -67.34 -23.17 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.71 -173.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 p -75.86 -27.22 57.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.28 0.562 . . . . 0.0 110.947 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.28 -4.45 29.28 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.324 -174.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' B' ' 19' ' ' PHE . 90.6 mt -59.44 -39.76 84.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -87.42 -9.64 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.332 0.587 . . . . 0.0 109.999 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -93.62 24.44 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.931 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.12 -18.15 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.138 0.494 . . . . 0.0 110.442 176.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.9 OUTLIER -80.97 138.41 49.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.768 173.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.6 Cg_exo -75.0 94.97 0.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.246 1.964 . . . . 0.0 111.697 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.573 176.685 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.23 0.059 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.462 ' HB3' HG21 ' A' ' 19' ' ' VAL . 35.0 mtm -137.97 -73.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.428 HD23 ' HB1' ' A' ' 16' ' ' ALA . 23.3 mt -96.01 97.5 9.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.581 ' O ' HG13 ' B' ' 50' ' ' ILE . 9.8 m -63.41 116.26 24.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.213 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.461 ' HA ' HD12 ' B' ' 50' ' ' ILE . 88.4 Cg_exo -47.7 -40.02 30.87 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.779 2.986 . . . . 0.0 113.81 -176.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.24 -40.96 87.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.8 -25.07 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.444 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 46' ' ' SER . 16.0 mt -47.43 -44.15 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.06 -15.73 15.19 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.15 -27.14 26.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.667 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.433 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -127.99 -60.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.988 -174.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.811 ' HB2' HE22 ' A' ' 20' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.708 . . . . 0.0 109.237 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 113.366 0.487 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -68.28 -47.87 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.465 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.41 162.72 11.84 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.36 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -96.03 24.84 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.243 0.617 . . . . 0.0 110.643 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.439 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.9 mtm -55.01 156.94 3.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.224 -173.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -82.74 -179.13 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -56.19 -43.51 78.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.223 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.53 -43.56 75.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -177.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HA ' ' CB ' ' B' ' 44' ' ' MET . . . -77.2 -36.3 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.38 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -36.61 84.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.573 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 59' ' ' PHE . 39.9 t80 -55.75 -53.63 54.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.862 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG21 ' SD ' ' B' ' 44' ' ' MET . 4.7 t -68.47 -32.5 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.985 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.5 -56.07 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.381 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 10.1 t -61.93 -37.05 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.716 -173.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 p -78.19 -37.9 44.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.791 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.021 0.438 . . . . 0.0 110.356 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.45 -29.12 61.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 21' ' ' THR . 6.7 tp10 -60.87 -42.44 97.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.356 0.598 . . . . 0.0 109.964 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -76.06 -25.24 55.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.498 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -79.96 -27.4 39.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -74.39 -45.72 44.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.711 0.291 . . . . 0.0 110.683 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -77.45 -21.82 52.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.838 0.352 . . . . 0.0 111.577 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 41.5 m-70 -136.08 88.36 22.14 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.551 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.15 -16.84 49.89 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.663 2.242 . . . . 0.0 111.081 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -86.08 -26.56 25.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.717 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 30' ' ' HIS . . . -100.79 91.67 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 t -83.22 125.06 31.15 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 m -72.71 141.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.216 0.531 . . . . 0.0 110.792 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 38.8 t30 -79.12 138.25 37.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.891 175.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.818 ' HE2' HD11 ' B' ' 50' ' ' ILE . 58.1 m-85 -59.82 -42.99 94.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.658 0.266 . . . . 0.0 111.163 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.435 ' HB2' ' ND2' ' A' ' 36' ' ' ASN . 13.4 m -61.39 -45.75 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.534 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 36' ' ' ASN . 8.3 pt-20 -69.15 -48.0 63.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -172.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 6.8 t80 -78.04 -53.53 7.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.371 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.0 m -55.54 -44.2 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.396 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -59.89 -56.76 17.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.657 0.265 . . . . 0.0 111.177 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 56.2 pttt -69.73 -35.86 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.674 -175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.24 -29.06 64.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.452 0.168 . . . . 0.0 111.452 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.743 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 66.7 m -58.3 -58.43 8.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -66.3 -33.23 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.715 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' O ' ' HG3' ' A' ' 51' ' ' MET . 77.4 ttt180 -57.88 -50.23 74.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.701 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -63.65 -42.36 98.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.743 ' HG3' ' O ' ' A' ' 45' ' ' SER . 62.9 mttm -62.63 -21.44 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.593 -174.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -104.38 7.31 35.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 82.9 mtp -88.27 159.29 18.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.692 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -86.75 158.13 19.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.98 70.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.114 -0.493 . . . . 0.0 112.26 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -62.81 -44.28 96.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.093 0.473 . . . . 0.0 111.078 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.67 -35.71 60.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -62.35 -35.25 78.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.068 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.03 76.89 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.359 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -63.2 -46.43 87.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.515 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 96.4 m-85 -72.41 -25.11 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.828 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -74.14 -37.26 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.887 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 20.7 t70 -66.53 -46.66 75.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.042 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.515 ' HG2' ' HA ' ' A' ' 59' ' ' PHE . 24.1 ptp -63.72 -26.35 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.23 -46.84 31.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.57 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 21.4 pttp -72.13 -24.83 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 110.597 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.43 74.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.402 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -55.49 -47.02 76.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.491 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.96 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.527 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.35 -47.5 79.1 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -53.14 -48.26 68.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 123.634 0.584 . . . . 0.0 110.952 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.164 179.857 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.786 0.326 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.27 -10.75 59.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.329 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 4.9 m -56.17 -34.04 65.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.66 0.266 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.21 -30.97 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 0.0 111.082 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -86.17 -3.0 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.395 0.617 . . . . 0.0 110.028 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -100.9 -11.05 20.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.829 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 18' ' ' THR . 87.2 mt -66.74 -42.95 85.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.403 -173.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 p-90 -76.92 -0.54 24.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.97 26.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.435 . . . . 0.0 111.599 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.44 -18.94 59.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.109 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.522 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.1 pp -102.85 128.19 28.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.7 Cg_exo -79.12 94.33 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.605 2.203 . . . . 0.0 112.942 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 170.546 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.192 0.52 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.534 ' SD ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.69 -70.66 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.567 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' B' ' 50' ' ' ILE . 39.6 mt -88.22 88.88 7.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.653 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.426 ' O ' HG12 ' B' ' 50' ' ' ILE . 23.9 m -81.33 132.79 54.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.489 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -43.03 -44.53 9.47 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.221 3.281 . . . . 0.0 115.081 -171.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.03 -48.45 73.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.495 0.664 . . . . 0.0 111.109 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.818 HD11 ' HE2' ' A' ' 37' ' ' PHE . 21.1 pt -91.71 -9.01 10.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.752 -171.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.92 -6.32 2.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.345 0.593 . . . . 0.0 111.44 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.624 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 7.7 mt-30 -77.46 -34.87 54.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.164 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.624 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -130.97 -44.87 1.04 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.099 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.547 ' HD2' HD13 ' B' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.46 -0.475 0 CA-C-O 120.606 0.169 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 25.2 ttm105 -67.66 -26.79 66.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.542 . . . . 0.0 110.06 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' HA2' ' CE1' ' A' ' 70' ' ' TYR . . . 116.59 -135.74 12.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.717 170.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HE2' ' HG3' ' A' ' 67' ' ' LYS . 16.3 ptpt -130.94 24.93 4.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.081 -174.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.486 ' HE3' ' HB1' ' A' ' 16' ' ' ALA . 62.7 mtp -32.14 126.93 0.25 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.75 1.281 . . . . 0.0 112.666 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -66.95 169.99 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.299 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 p -54.81 -39.09 68.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.719 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.1 t80 -57.22 -48.24 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.405 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.708 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -76.37 -29.5 57.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 110.538 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 42.3 t80 -55.04 -47.41 74.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.319 173.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 15' ' ' TYR . 2.6 t -68.08 -40.5 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.462 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.71 -56.72 17.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.412 HG21 ' HE1' ' A' ' 59' ' ' PHE . 7.8 t -62.34 -37.0 83.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.161 0.288 . . . . 0.0 111.614 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.3 m -72.78 -43.74 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.362 0.601 . . . . 0.0 110.358 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.717 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 19.3 ttp85 -67.63 -54.8 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.923 -177.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.798 ' HG2' ' HE3' ' A' ' 28' ' ' LYS . 33.0 tt0 -74.78 -37.57 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.084 -167.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.67 -39.32 94.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.678 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -62.17 -31.69 72.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.92 -38.18 37.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.798 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 96.6 mttt -71.35 -36.18 71.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.92 -23.05 31.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -139.84 83.9 15.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.33 -38.86 32.36 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.611 2.208 . . . . 0.0 111.759 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.86 -26.57 66.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.454 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.35 105.82 12.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.2 m -89.7 137.91 31.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 m -88.37 155.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.572 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 43.6 m-80 -88.64 116.16 26.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -52.41 -59.59 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -64.05 -35.48 80.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.355 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 20.5 mm-40 -67.94 -47.65 68.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.92 -53.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.324 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -61.55 -36.24 80.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -63.06 -55.15 27.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.418 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.83 -35.12 72.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.336 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 84.5 m -73.25 -27.89 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 91.6 p -64.64 -50.6 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.63 -37.73 88.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -55.66 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.692 175.104 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -52.97 -53.38 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 45' ' ' SER . 94.0 mttt -63.5 -30.54 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.936 -172.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.7 p -96.81 2.72 52.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 50.6 mtm -75.02 168.73 19.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.324 175.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 p -83.63 161.85 20.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.05 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.595 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -67.86 -32.75 73.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.02 -46.89 27.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.84 -39.13 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.786 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.57 -36.94 93.36 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.5 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -58.95 -50.87 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HE1' HG21 ' A' ' 21' ' ' THR . 94.0 m-85 -65.69 -31.24 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.925 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.704 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 35.2 tt0 -69.21 -40.47 77.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.485 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 28.9 t70 -70.79 -27.28 63.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.91 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtm -77.52 -33.03 54.42 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.092 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.86 -48.08 69.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.037 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 18.7 ptmt -61.62 -34.01 74.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.503 177.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.88 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.643 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 13.2 t0 -66.8 -42.55 85.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 36.8 ttpt -56.14 -42.45 76.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.671 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.68 74.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.384 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 66' ' ' ASP . 34.4 ptt180 -66.34 -30.23 70.58 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.236 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 87.1 t80 -66.11 -50.63 63.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.45 174.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.296 0 C-N-CA 122.831 0.452 . . . . 0.0 110.649 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.04 -26.52 67.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -89.49 -40.55 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.134 0.492 . . . . 0.0 110.219 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -67.27 -28.28 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.5 p -64.3 -35.88 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 0.1 OUTLIER -83.62 -5.11 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.786 0.327 . . . . 0.0 111.275 -176.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.87 -27.49 63.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.531 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 67.0 p-90 -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.716 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 51.0 mtpt -76.38 20.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 111.781 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.3 -18.79 41.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 109.879 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 23' ' ' TRP . 2.6 pp -81.08 154.29 72.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.012 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.22 95.07 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.095 1.863 . . . . 0.0 111.242 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.714 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.403 ' HB2' ' SD ' ' B' ' 44' ' ' MET . 91.9 mt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.708 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -130.34 -71.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.161 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 10.9 mt -92.45 109.75 21.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.335 -174.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 6.1 p -70.82 128.54 90.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.888 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 52.1 Cg_exo -56.58 -25.06 57.13 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.207 2.605 . . . . 0.0 112.632 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.99 -45.06 95.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -94.88 -22.92 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.312 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' B' ' 54' ' ' PHE . 3.6 mt -47.61 -41.81 8.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.878 -1.056 . . . . 0.0 113.586 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.84 -5.92 3.27 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -97.46 -40.57 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -130.7 -16.33 3.37 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -170.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.726 ' HB3' HG23 ' B' ' 50' ' ' ILE . 1.6 t80 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -173.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.1 -52.32 65.84 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.02 -100.48 1.75 Allowed Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.851 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.626 ' CB ' ' HE3' ' A' ' 7' ' ' LYS . 8.7 m-20 49.88 51.27 10.43 Favored Pre-proline 0 N--CA 1.467 0.389 0 O-C-N 124.013 0.478 . . . . 0.0 111.078 -173.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 4' ' ' ASP . 1.8 Cg_endo -81.75 15.72 1.88 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.98 2.453 . . . . 0.0 113.138 -169.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.82 31.72 4.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.128 0.49 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.626 ' HE3' ' CB ' ' A' ' 4' ' ' ASP . 98.2 mttt -67.06 161.03 66.79 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.5 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.91 -167.98 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.204 2.603 . . . . 0.0 111.516 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -47.84 -49.73 28.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.74 -176.99 17.51 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.443 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -106.15 22.41 15.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.464 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 43.7 mtm -51.46 145.3 8.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.446 -175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.33 167.49 12.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.554 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.705 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 22.1 p -54.67 -31.18 57.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.02 0.438 . . . . 0.0 111.429 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -48.91 71.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.978 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -74.06 -30.23 62.29 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.57 -32.59 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 57.4 t80 -58.41 -50.97 71.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.258 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.44 -43.1 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -58.63 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.748 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -66.66 -33.31 75.37 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.045 0.216 . . . . 0.0 111.37 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.5 t -75.97 -45.87 32.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.624 0.25 . . . . 0.0 110.999 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.817 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -65.74 -31.34 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.817 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 28.2 tt0 -77.61 -45.22 25.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.831 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.564 ' HG3' ' HE2' ' A' ' 29' ' ' LYS . 3.4 tp10 -54.51 -41.5 69.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -66.98 -35.3 79.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.215 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 8.1 tmtm? -78.68 -28.17 45.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.873 0.368 . . . . 0.0 110.293 -175.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.557 ' HD2' ' HG2' ' A' ' 24' ' ' GLU . 42.3 mtpt -70.94 -44.36 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 51.0 mttm -69.47 -35.89 76.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -123.0 88.77 50.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.96 -14.04 40.04 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.819 2.346 . . . . 0.0 111.103 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -85.27 -10.96 55.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.615 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.19 159.72 17.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.937 0.875 . . . . 0.0 112.718 -171.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 t -135.64 -164.01 1.48 Allowed 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 170.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.88 167.59 25.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 13.3 m120 -93.9 120.92 34.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -52.96 -55.6 22.26 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.555 0.534 . . . . 0.0 112.186 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.924 ' HA ' ' HB3' ' B' ' 41' ' ' ASP . 40.2 m -63.59 -39.61 94.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 67.0 mm-40 -65.1 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.401 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.07 -41.5 92.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.545 -171.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -66.87 -33.78 76.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.644 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -72.24 -45.14 61.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 49.1 mttm -58.26 -45.45 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.139 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.81 -41.67 95.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.158 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.682 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 41.6 t -54.74 -56.42 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.2 -42.33 93.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.104 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -65.68 -43.48 89.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.072 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.0 t-105 -56.47 -50.5 71.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.25 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' ' 45' ' ' SER . 55.8 mttm -57.18 -36.19 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.862 -174.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -84.24 -0.21 51.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.8 mtm -83.09 171.77 13.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.876 0.37 . . . . 0.0 111.158 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -90.9 166.58 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.246 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -55.81 -46.31 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.188 0.518 . . . . 0.0 110.737 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 29.2 mt-10 -73.51 -45.16 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.348 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -61.68 -42.72 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.838 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.29 -29.57 75.61 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.25 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 36.4 ttpt -61.47 -48.37 81.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.257 175.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 93.2 m-85 -67.32 -35.71 79.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.365 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.705 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 7.4 tp10 -61.95 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.848 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -62.71 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.818 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.11 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.463 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.44 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.956 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.848 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 9.7 mtmp? -60.85 -39.43 89.12 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 110.647 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.88 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.29 -35.35 58.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.48 -46.12 84.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.844 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.82 82.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.362 . . . . 0.0 111.023 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.9 ttm105 -66.09 -37.45 85.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.95 -47.41 86.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.389 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.96 -38.68 73.32 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.646 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.76 -47.57 85.71 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.732 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.86 -28.4 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.49 -38.2 68.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -67.09 -36.92 83.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.089 0.471 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 55.0 p -90.33 10.19 25.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.551 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -102.14 130.08 48.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.318 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 3.7 mp -109.26 119.03 49.62 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 24.1 Cg_exo -64.12 113.86 2.4 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.224 2.616 . . . . 0.0 113.108 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 4' ' ' ASP . 10.0 Cg_exo -70.81 109.17 2.45 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.889 2.393 . . . . 0.0 110.832 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 81' ' ' LYS . 15.1 tptm 59.09 30.71 20.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.687 0.756 . . . . 0.0 109.986 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.488 ' HA3' ' HB2' ' A' ' 79' ' ' PRO . . . -70.46 89.2 0.35 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.153 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.743 -0.228 . . . . 0.0 110.817 178.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' B' ' 16' ' ' GLN . 2.5 pt? . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.7 m -103.39 -1.64 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.035 0.445 . . . . 0.0 110.984 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.622 ' HB2' HD12 ' B' ' 14' ' ' LEU . 98.1 mt-30 -90.29 97.84 11.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.708 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.499 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -104.56 -25.4 12.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.912 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 99.7 m-85 -65.79 -31.61 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.4 t -81.97 -3.18 53.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.467 0.651 . . . . 0.0 110.325 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.5 -18.12 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 76.6 mt -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.666 -171.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -82.69 -11.26 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.722 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -82.48 25.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.127 0.489 . . . . 0.0 111.719 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -88.04 7.55 30.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.501 0.667 . . . . 0.0 109.557 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.75 158.73 80.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.624 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -66.33 95.76 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 121.808 1.672 . . . . 0.0 111.536 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -105.22 14.22 29.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.212 171.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 92.91 -1.72 0.12 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 125.031 1.457 . . . . 0.0 109.013 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.72 70.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.055 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -123.26 4.83 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.035 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -130.9 135.21 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.491 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.82 112.93 2.82 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.272 1.981 . . . . 0.0 111.215 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.421 ' HA ' ' HD2' ' B' ' 36' ' ' PRO . 29.4 tp -91.68 117.81 67.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.52 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' B' ' 35' ' ' LEU . 17.2 Cg_endo -57.66 128.66 30.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.081 2.521 . . . . 0.0 111.75 177.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -108.97 -8.47 15.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -93.69 -22.52 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.86 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.29 144.78 14.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 0.0 111.081 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -92.59 -11.01 35.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.063 0.459 . . . . 0.0 110.381 178.649 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.924 ' HB3' ' HA ' ' A' ' 38' ' ' SER . 1.4 p30 -87.34 2.6 49.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.304 0.573 . . . . 0.0 110.494 176.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -111.08 8.19 21.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.074 0.94 . . . . 0.0 109.138 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.661 HD22 ' SD ' ' B' ' 44' ' ' MET . 1.3 tt -62.57 -55.02 31.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.952 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.661 ' SD ' HD22 ' B' ' 43' ' ' LEU . 3.4 mpp? -99.6 -71.34 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.953 -175.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.829 ' HB3' HG21 ' B' ' 50' ' ' ILE . 41.9 mt -94.53 99.0 11.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.857 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.446 ' O ' HG12 ' B' ' 50' ' ' ILE . 8.9 t -76.72 133.98 69.59 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.907 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.431 ' HA ' HG12 ' B' ' 50' ' ' ILE . 36.7 Cg_exo -57.24 -36.18 99.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.644 2.896 . . . . 0.0 114.255 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.78 -49.34 48.83 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -93.09 -41.07 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.829 HG21 ' HB3' ' B' ' 45' ' ' LEU . 45.4 pt -67.32 -32.4 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -166.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.453 ' N ' HG13 ' B' ' 50' ' ' ILE . 31.7 mt-10 -58.24 -17.98 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -167.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.76 -37.64 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.865 0.364 . . . . 0.0 111.02 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -123.07 -29.13 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' B' ' 50' ' ' ILE . 8.2 t80 -54.61 -42.38 71.1 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.3 t -140.69 149.68 42.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -123.01 89.18 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . 7.5 p-10 -114.25 152.42 45.93 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.997 -174.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ASP . 6.7 Cg_exo -74.14 -21.83 17.53 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.835 2.357 . . . . 0.0 111.746 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.38 158.73 10.42 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.908 2.405 . . . . 0.0 112.314 178.779 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.122 -0.391 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -156.01 164.46 38.43 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.46 170.13 29.16 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.423 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.557 ' H ' ' HD2' ' A' ' 7' ' ' LYS . 8.1 m-20 -134.54 145.19 54.05 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.9 12.86 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.515 2.144 . . . . 0.0 111.798 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -124.82 20.6 8.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.535 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HD2' ' H ' ' A' ' 4' ' ' ASP . 37.1 mttm -99.72 122.37 51.4 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.901 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 4.3 Cg_exo -76.42 129.53 11.17 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.844 2.363 . . . . 0.0 110.387 171.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.729 ' HD3' HE22 ' A' ' 20' ' ' GLN . 1.5 ptp180 -65.41 -18.47 65.34 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.855 0.36 . . . . 0.0 110.981 -176.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.27 -168.34 20.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.515 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -108.67 26.16 10.87 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 24.1 mtm -44.59 141.65 1.93 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.844 -177.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -76.41 179.9 5.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.585 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 59' ' ' PHE . 13.1 m -57.92 -25.86 61.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.145 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -61.64 -54.46 42.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.314 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.49 -32.38 73.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 1.4 m-85 -64.76 -36.38 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 21' ' ' THR . 60.1 t80 -54.71 -54.48 41.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 110.621 175.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.47 -42.94 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.729 HE22 ' HD3' ' A' ' 9' ' ' ARG . 25.7 tt0 -64.43 -47.69 78.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.811 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.505 HG21 ' HE1' ' A' ' 59' ' ' PHE . 12.6 t -58.23 -35.56 71.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 p -87.88 -36.68 17.04 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.412 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.666 HH21 ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.64 -42.16 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.122 0.487 . . . . 0.0 110.942 -179.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 tp10 -74.88 -45.5 42.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.196 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.55 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 9.6 tp10 -59.97 -28.97 68.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.461 0.648 . . . . 0.0 110.241 176.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -66.0 -40.76 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.286 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.666 ' HD3' HH21 ' A' ' 23' ' ' ARG . 9.9 mtpm? -82.71 -19.98 36.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.006 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 25' ' ' GLU . 29.3 mtpp -64.71 -54.29 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.006 0.431 . . . . 0.0 110.003 173.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HE3' ' HG3' ' A' ' 25' ' ' GLU . 9.5 mtmp? -77.93 -32.93 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.733 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' LYS . 88.6 m-70 -125.99 90.83 49.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.668 0.271 . . . . 0.0 110.49 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.38 -12.75 32.26 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 123.032 2.488 . . . . 0.0 111.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.78 7.1 47.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.161 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.59 89.64 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.163 0.506 . . . . 0.0 112.209 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -84.77 135.05 34.28 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.99 152.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.635 0.255 . . . . 0.0 110.54 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.57 132.15 34.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.402 ' HE2' ' HB3' ' B' ' 56' ' ' GLU . 65.4 m-85 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.31 0.381 . . . . 0.0 111.542 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HA ' ' SD ' ' B' ' 40' ' ' MET . 36.1 p -66.62 -52.49 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.143 0.497 . . . . 0.0 110.722 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.4 -60.13 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.659 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -68.53 -52.44 32.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.046 -169.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' B' ' 41' ' ' ASP . 5.6 m -67.38 -36.65 81.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.572 -174.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.04 -48.36 80.61 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.079 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 18.3 ptpt -67.64 -32.88 73.88 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.495 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.74 -40.52 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.644 0.259 . . . . 0.0 110.4 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.676 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 29.2 t -55.25 -52.29 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.865 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.75 -41.0 97.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.117 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 94.5 mtt180 -63.32 -46.25 87.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.281 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -59.16 -46.45 88.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.709 0.29 . . . . 0.0 111.317 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 45' ' ' SER . 42.0 mttm -69.5 -18.86 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -109.99 22.41 15.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.5 ttp -108.15 151.75 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.12 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -68.52 159.5 31.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.058 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -72.15 -24.22 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.54 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.1 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 37.1 mm-40 -67.66 -38.34 83.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.083 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 63.9 mttm -59.46 -43.35 93.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.02 -30.95 79.34 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.972 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 29.3 ttpt -62.33 -44.8 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 0.0 110.388 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.505 ' HE1' HG21 ' A' ' 21' ' ' THR . 61.6 m-85 -70.04 -20.66 63.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.644 ' HG2' ' HE2' ' A' ' 64' ' ' LYS . 39.7 tt0 -71.19 -38.32 72.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.183 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.32 -47.44 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.236 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.433 ' HE3' ' HA ' ' A' ' 59' ' ' PHE . 23.0 ptp -63.63 -31.45 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.56 91.48 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.302 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HE2' ' HG2' ' A' ' 60' ' ' GLU . 66.3 mttm -67.27 -37.53 83.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.99 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.585 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 2.6 m-20 -75.38 -17.57 60.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.379 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.07 -41.09 78.01 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.638 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -65.8 -36.7 84.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 174.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' ASP . 36.3 ttm180 -65.65 -37.15 85.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.391 175.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.37 -48.59 79.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.297 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.673 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 70.6 mm-40 -53.27 -47.83 68.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.434 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 36.8 mtt180 -57.67 -59.73 4.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.369 0.604 . . . . 0.0 110.358 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.19 -41.67 93.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.441 -172.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -67.22 -29.26 68.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.492 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 47.2 mmtm -74.87 -35.25 62.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.326 0.584 . . . . 0.0 110.22 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.7 p -87.16 0.25 55.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.523 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -85.14 128.8 34.8 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.027 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 3.4 mp -94.35 114.45 63.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 78' ' ' ILE . 22.3 Cg_exo -64.4 114.45 2.69 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.838 2.358 . . . . 0.0 111.991 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -90.09 165.16 4.73 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.05 2.5 . . . . 0.0 112.617 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -122.14 92.91 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -116.26 44.21 1.51 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.993 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.085 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.992 0.425 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 m -91.36 -4.41 55.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.014 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' B' ' 19' ' ' PHE . 95.9 mt-30 60.84 20.14 10.35 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.86 -68.8 0.16 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.821 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.6 p -85.26 -16.55 39.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 0.0 110.837 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' B' ' 16' ' ' GLN . 83.7 m-85 -69.52 -28.57 66.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.497 -175.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.5 p -80.05 -3.7 49.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.881 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 17.2 t70 -96.91 -18.07 19.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.147 0.498 . . . . 0.0 110.24 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.15 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.043 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -93.25 0.48 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.077 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' B' ' 21' ' ' ASP . 63.5 mttm -80.89 24.92 0.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.054 0.454 . . . . 0.0 111.168 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.43 -23.63 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.945 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.494 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -101.25 109.16 57.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.664 173.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.56 95.57 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.385 2.057 . . . . 0.0 112.277 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.5 ' HG3' HG12 ' B' ' 31' ' ' VAL . 44.6 mm-40 -96.59 176.3 6.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.803 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -115.52 -41.97 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.4 0.619 . . . . 0.0 109.738 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.438 ' OD1' ' HB2' ' B' ' 32' ' ' LEU . 24.2 p-10 -151.85 27.44 0.63 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.5 HG12 ' HG3' ' B' ' 28' ' ' GLU . 19.4 m 37.35 53.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 124.307 1.005 . . . . 0.0 110.853 -171.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.438 ' HB2' ' OD1' ' B' ' 30' ' ' ASN . 3.2 tm? -63.99 122.57 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.82 -173.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 47.6 t -130.18 136.96 29.82 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.131 176.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 33' ' ' SER . 31.8 Cg_exo -61.45 109.73 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.496 2.13 . . . . 0.0 111.756 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.9 tp -143.75 108.16 5.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.204 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.81 109.5 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.815 2.343 . . . . 0.0 112.057 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.0 m -98.52 -6.04 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.458 0.647 . . . . 0.0 109.78 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -63.61 -34.93 78.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.21 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.77 ' HB1' HD21 ' B' ' 43' ' ' LEU . . . -136.86 83.54 2.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.414 ' SD ' ' HA ' ' A' ' 38' ' ' SER . 23.3 ptt? -131.17 -50.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.111 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.426 ' HA ' ' HB3' ' A' ' 41' ' ' SER . 34.9 t70 -120.42 -42.8 2.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.209 -174.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.2 -7.62 2.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.801 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.77 HD21 ' HB1' ' B' ' 39' ' ' ALA . 60.3 mt -58.9 -38.68 79.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.708 ' SD ' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -131.1 -47.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.755 -178.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.746 ' HB3' HG21 ' B' ' 50' ' ' ILE . 16.0 mt -97.44 100.5 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 m -95.03 139.53 22.11 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.418 -173.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' B' ' 50' ' ' ILE . 97.4 Cg_exo -45.21 -30.91 5.53 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.001 3.134 . . . . 0.0 112.828 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.8 -49.21 29.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.01 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -102.01 -41.76 6.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.225 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 1.064 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 29.7 pt -64.76 -25.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -166.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.98 -5.94 5.37 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.506 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 26.7 mm-40 -86.54 -28.15 23.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -131.85 -52.4 0.98 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.935 -173.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 1.064 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.9 OUTLIER -83.41 93.39 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.6 p -128.43 144.95 51.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.402 ' HB3' ' HE2' ' A' ' 37' ' ' PHE . 6.6 tp10 -110.97 105.41 14.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.731 176.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.477 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . 41.2 m-20 -123.86 113.01 28.63 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.63 177.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 57' ' ' ASP . 1.8 Cg_endo -85.13 27.88 0.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 124.265 3.31 . . . . 0.0 112.493 -174.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.81 -149.43 19.52 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.688 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.448 -1.193 0 C-N-CA 122.997 2.464 . . . . 0.0 112.258 177.736 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -93.75 -43.2 8.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.165 0.507 . . . . 0.0 109.651 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.31 68.05 0.44 Allowed Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.99 114.11 9.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 O-C-N 123.861 0.389 . . . . 0.0 111.3 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.01 11.07 3.43 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.81 2.34 . . . . 0.0 112.427 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -122.74 19.84 10.21 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.58 122.21 45.66 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.143 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.9 153.81 76.69 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.376 2.051 . . . . 0.0 110.78 173.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.61 ' HD2' ' OE1' ' A' ' 20' ' ' GLN . 34.0 ttm180 -86.86 24.19 1.55 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -164.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.13 -173.71 39.67 Favored Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.201 -0.999 . . . . 0.0 114.044 170.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -115.23 25.72 10.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.021 -0.589 . . . . 0.0 109.988 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.8 mtm -44.45 153.67 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -70.6 163.25 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.191 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -56.65 -35.74 68.71 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.914 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -48.13 74.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.47 0.652 . . . . 0.0 109.89 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.91 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -65.84 -38.32 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.482 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.743 ' HA ' HE21 ' A' ' 20' ' ' GLN . 5.7 m-85 -59.99 -41.21 91.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.48 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.403 ' HD1' ' CZ ' ' A' ' 59' ' ' PHE . 21.4 t80 -52.18 -57.53 9.36 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 123.523 0.514 . . . . 0.0 111.064 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG13 ' CE1' ' A' ' 40' ' ' PHE . 78.6 t -65.4 -40.72 89.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.743 HE21 ' HA ' ' A' ' 17' ' ' PHE . 6.6 tt0 -58.46 -52.28 66.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.576 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -63.19 -40.23 96.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.701 0.286 . . . . 0.0 111.115 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 m -72.44 -23.31 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.456 0.646 . . . . 0.0 110.137 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.941 ' HD3' ' HA ' ' B' ' 54' ' ' PHE . 47.1 ttm-85 -80.92 -56.08 4.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.714 -175.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 17.7 tt0 -67.93 -36.16 79.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.252 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.05 -42.72 81.05 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.779 0.8 . . . . 0.0 109.39 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.68 -44.45 96.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.145 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HE3' ' HB3' ' B' ' 56' ' ' GLU . 4.5 tppp? -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.263 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 74.1 mmtt -53.23 -41.81 65.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.868 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -94.44 -23.51 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CE1' ' HA ' ' B' ' 60' ' ' PRO . 56.0 m-70 -130.91 89.11 43.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 175.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.22 -30.42 4.28 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.103 2.535 . . . . 0.0 113.578 -174.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.42 16.34 26.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.921 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' C ' ' HA ' ' B' ' 56' ' ' GLU . . . -88.63 159.97 17.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' B' ' 57' ' ' ASP . 36.1 m -144.4 110.53 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.066 -0.397 . . . . 0.0 111.136 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.55 HG13 ' C ' ' B' ' 56' ' ' GLU . 16.1 m -66.34 152.01 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.137 0.494 . . . . 0.0 111.579 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 43.1 m-80 -84.17 119.23 24.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 165.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HB3' ' CB ' ' B' ' 41' ' ' ASP . 15.3 m-85 -55.56 -51.07 68.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.731 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 m -63.05 -33.2 74.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.725 0.298 . . . . 0.0 111.65 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 36' ' ' ASN . 13.5 mm-40 -63.77 -60.33 3.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.406 0.622 . . . . 0.0 111.264 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.475 ' CE1' HG13 ' A' ' 19' ' ' VAL . 3.5 t80 -64.71 -42.9 94.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.41 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 p -60.73 -52.52 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.588 -175.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.87 -53.29 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.601 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.56 -34.85 79.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -90.53 -25.13 20.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.5 p -63.73 -51.44 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.15 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' O ' HG22 ' A' ' 50' ' ' THR . 42.2 mt-10 -68.04 -31.34 70.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.472 HH11 ' HD2' ' A' ' 47' ' ' ARG . 20.2 ttt180 -56.22 -39.95 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 174.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.595 ' O ' ' HE2' ' A' ' 56' ' ' LYS . 20.4 t-105 -66.93 -47.69 70.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.9 mttt -56.11 -44.41 79.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.542 -173.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 46' ' ' GLU . 6.8 t -98.93 14.64 28.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.643 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.53 ' O ' ' HE3' ' A' ' 56' ' ' LYS . 24.0 ttm -72.95 158.23 35.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.704 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.527 ' N ' ' HG2' ' A' ' 51' ' ' MET . 3.4 m -57.87 131.25 49.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.133 172.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -31.75 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -174.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.37 67.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.088 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -71.18 -38.62 72.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 48' ' ' TRP . 98.4 mttt -54.93 -42.22 71.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.258 0.552 . . . . 0.0 109.862 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.5 77.92 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.375 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -63.31 -43.21 98.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.151 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' HD1' ' A' ' 18' ' ' PHE . 94.3 m-85 -69.89 -32.08 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -68.34 -37.45 80.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.332 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.57 -49.69 74.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.4 mtm -64.15 -33.28 75.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.718 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.65 72.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -68.81 -40.61 79.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.48 80.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.431 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.5 m-20 -71.81 -35.24 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.174 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 25.6 ttpp -64.13 -46.49 83.9 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.86 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.33 86.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.015 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -64.68 -42.46 95.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 14.0 t80 -56.4 -52.6 64.04 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 175.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.03 -38.27 78.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.226 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -75.16 -47.19 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.313 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.23 -44.97 86.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 49.2 tpp -62.46 -29.93 70.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 20.5 tptm -67.41 -37.3 82.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.849 0.357 . . . . 0.0 110.271 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 74.2 p -85.78 -14.37 45.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.1 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -92.06 124.96 36.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.262 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.4 mp -117.25 93.07 41.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-O 120.986 0.422 . . . . 0.0 109.92 175.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 40.6 Cg_endo -67.96 148.95 77.13 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.973 2.449 . . . . 0.0 112.105 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 50.1 Cg_exo -54.51 142.24 71.39 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.748 2.299 . . . . 0.0 111.542 176.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.0 88.73 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.438 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.98 -84.45 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.961 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.237 0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 110.677 177.533 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.1 t -96.74 -32.59 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 -177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.764 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 60.1 mt-30 55.42 75.79 0.3 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.49 0.662 . . . . 0.0 110.165 -174.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.09 -62.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.091 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 3.3 p -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.764 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 97.0 m-85 -65.37 -32.58 74.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -76.96 -32.79 57.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 110.055 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.36 -5.81 48.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.611 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 18' ' ' THR . 90.0 mt -67.8 -35.81 79.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.26 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -98.3 -2.11 40.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -89.93 24.99 2.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.44 1.29 42.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 156.88 41.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.01 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.15 94.11 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.349 1.366 . . . . 0.0 111.551 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 71.79 10.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.725 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -109.07 -5.25 16.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.42 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 p30 178.99 -36.56 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.264 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t 69.15 91.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.078 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.76 96.06 10.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.038 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.473 ' O ' HD22 ' B' ' 35' ' ' LEU . 16.3 m -97.43 148.01 33.81 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.557 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 33' ' ' SER . 22.6 Cg_exo -65.55 115.54 3.43 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.315 2.01 . . . . 0.0 112.074 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.473 HD22 ' O ' ' B' ' 33' ' ' SER . 2.9 mm? -79.85 140.78 54.6 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.483 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.12 124.73 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.839 2.359 . . . . 0.0 111.754 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.1 m -78.98 -1.71 36.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.948 -174.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -74.86 -41.73 59.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.647 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . 66.76 -171.08 0.19 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.543 0.527 . . . . 0.0 110.575 -175.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.6 ttm -130.44 -17.91 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.367 0.603 . . . . 0.0 111.047 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 37' ' ' PHE . 2.2 p-10 -80.61 1.39 30.04 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.284 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.5 15.02 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.523 . . . . 0.0 110.042 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.53 -62.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.086 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.91 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -101.16 -46.46 5.05 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.8 -176.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.726 ' HB3' HG21 ' B' ' 50' ' ' ILE . 42.6 mt -103.89 112.4 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 50' ' ' ILE . 30.6 t -78.61 133.57 62.76 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.654 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.486 ' HA ' HG12 ' B' ' 50' ' ' ILE . 14.8 Cg_endo -59.36 -2.3 1.3 Allowed 'Trans proline' 0 N--CA 1.477 0.547 0 C-N-CA 123.952 3.101 . . . . 0.0 115.078 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.13 -69.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 111.183 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.37 -14.06 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.104 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' B' ' 45' ' ' LEU . 42.5 pt -70.75 -15.86 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -171.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.82 -12.07 15.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.152 0.501 . . . . 0.0 112.034 -168.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.54 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 0.5 OUTLIER -96.3 -18.77 19.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.693 ' CH2' HG22 ' B' ' 50' ' ' ILE . 5.0 p-90 -131.44 8.1 4.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.808 -0.557 . . . . 0.0 112.428 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.941 ' HA ' ' HD3' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -122.13 75.95 1.27 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.342 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.472 ' HA ' HG22 ' A' ' 35' ' ' VAL . 6.3 t -174.9 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 173.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.55 ' C ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -165.37 93.34 0.58 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.261 0.553 . . . . 0.0 110.632 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.595 ' HB2' ' O ' ' A' ' 34' ' ' SER . 21.9 t70 -70.88 147.44 94.11 Favored Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.123 -171.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' B' ' 57' ' ' ASP . 86.4 Cg_exo -47.81 -16.63 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 124.213 3.276 . . . . 0.0 114.452 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.2 160.64 50.73 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.325 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 14.1 Cg_exo . . . . . 0 C--O 1.25 1.115 0 C-N-CA 123.139 2.559 . . . . 0.0 112.453 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -110.73 -50.97 2.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.775 0.322 . . . . 0.0 110.432 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.94 175.17 30.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.749 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -109.71 110.58 59.38 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.383 0.611 . . . . 0.0 110.426 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.57 12.74 2.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.89 2.394 . . . . 0.0 112.54 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -106.23 17.12 23.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.861 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 45.5 tttt -92.14 123.49 62.53 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.276 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 18.5 Cg_endo -91.46 150.69 3.58 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.61 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 65.9 mtm180 -80.3 -65.99 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 171.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 1.018 ' HA3' ' HB2' ' A' ' 70' ' ' TYR . . . 66.29 -89.71 0.14 Allowed Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.389 -0.823 . . . . 0.0 115.141 166.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' ' 67' ' ' LYS . 83.8 mttt -80.18 24.04 0.45 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -168.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.621 ' HB2' ' HD1' ' A' ' 17' ' ' PHE . 72.9 mtp -54.76 139.67 38.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 173.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 151.93 25.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.438 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 110.207 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.588 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.752 ' HA ' ' HB2' ' B' ' 44' ' ' MET . . . -69.99 -39.26 76.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.999 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.621 ' HD1' ' HB2' ' A' ' 12' ' ' MET . 0.4 OUTLIER -64.26 -37.78 88.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.706 -177.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.94 -50.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.814 HG21 ' HG3' ' B' ' 44' ' ' MET . 69.2 t -67.89 -43.38 85.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -53.01 61.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.582 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -63.39 -38.04 89.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.331 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.4 m -69.1 -43.4 74.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.523 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.547 HH21 ' HB2' ' A' ' 24' ' ' GLU . 4.2 ttp85 -66.95 -49.99 63.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.935 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.547 ' HB2' HH21 ' A' ' 23' ' ' ARG . 17.2 tt0 -70.46 -31.94 69.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.915 -170.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.659 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 44.7 tt0 -62.51 -43.64 98.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 0.0 109.49 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -67.67 -31.07 70.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.374 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.28 -25.86 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.87 -50.56 16.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HE2' ' HG2' ' A' ' 25' ' ' GLU . 55.5 mttm -61.27 -43.7 98.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -122.2 90.41 49.03 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.83 -23.5 35.23 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.915 2.41 . . . . 0.0 112.454 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -87.77 -12.6 44.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.555 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.77 112.04 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.46 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 133.24 46.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -75.19 152.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -174.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.546 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 10.3 m120 -74.47 112.18 10.39 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 168.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' B' ' 40' ' ' MET . 56.2 t80 -55.62 -50.86 69.04 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.058 0.224 . . . . 0.0 111.452 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 m -56.08 -44.32 78.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 0.0 110.54 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 2.4 mm-40 -59.83 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.615 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 23.4 t80 -65.38 -46.46 80.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.655 -169.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -58.57 -43.93 89.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.684 0.278 . . . . 0.0 110.952 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 24.1 ttpp -71.0 -57.0 4.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.18 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.58 -34.23 77.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.557 -171.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.54 -34.97 65.47 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.672 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.571 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 46.7 t -61.47 -50.51 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 29.8 mt-10 -57.38 -42.77 82.8 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.512 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' A' ' 51' ' ' MET . 41.0 ttt180 -64.13 -51.62 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.277 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.19 -53.16 46.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 45' ' ' SER . 95.3 mttt -57.59 -32.31 67.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.208 -175.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.9 p -98.99 3.15 46.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 46.1 mtm -71.33 161.26 31.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 111.414 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -78.97 162.49 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.721 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.96 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.846 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.83 -49.45 75.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.44 -48.51 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.344 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.49 -41.27 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.88 -35.05 84.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.835 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 37.6 ttpt -59.58 -46.89 87.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -70.03 -28.51 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.28 -39.05 93.15 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 65.7 m-20 -59.87 -52.26 66.18 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.25 -30.78 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.58 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.116 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' NZ ' ' HA ' ' A' ' 61' ' ' ASP . 9.2 pttm -74.82 -26.01 59.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.252 0.549 . . . . 0.0 110.435 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.69 75.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.204 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -26.21 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -55.45 -48.96 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.739 176.286 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -70.97 -34.07 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.498 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.4 -41.76 90.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.49 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 1.018 ' HB2' ' HA3' ' A' ' 10' ' ' GLY . 75.3 t80 -56.52 -48.77 76.52 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 27.9 mt-10 -59.41 -42.16 91.16 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.909 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.791 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -72.06 -41.66 67.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.078 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.82 -30.2 66.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.721 0.296 . . . . 0.0 110.685 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.406 ' CE ' ' HA ' ' A' ' 74' ' ' MET . 2.8 mmt -64.36 -32.62 74.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.494 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 19.0 tptm -68.12 -27.38 66.4 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.632 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.6 p -93.88 6.53 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.262 0.553 . . . . 0.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -100.69 118.37 36.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.921 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 78' ' ' ILE . 3.9 mp -99.26 113.69 64.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 39.7 Cg_exo -57.5 145.7 87.33 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.216 2.611 . . . . 0.0 112.955 -177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 34.8 Cg_exo -59.06 144.72 99.25 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.006 2.471 . . . . 0.0 111.806 176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.76 140.41 49.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.81 -89.97 1.91 Allowed Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 175.321 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.595 0.236 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 65.1 p -89.49 -5.19 57.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.166 0.508 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.701 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 25.6 mt-30 -86.8 51.13 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.538 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -56.51 -45.28 81.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.471 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 20.0 m -66.33 -36.46 82.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.701 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 88.6 m-85 -75.09 -36.35 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.279 -174.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.4 m -76.55 -7.74 55.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -99.08 -12.21 20.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.211 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.512 ' HG ' ' HA ' ' B' ' 19' ' ' PHE . 89.1 mt -62.45 -33.56 75.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.297 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -93.02 0.4 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.206 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.466 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 65.6 mttm -82.67 25.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.65 -30.88 71.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.046 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -75.2 168.28 28.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.721 176.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.38 93.84 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.432 1.421 . . . . 0.0 110.418 170.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.466 ' HG3' ' HG2' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -92.31 105.64 17.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -174.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -114.09 -35.98 4.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.181 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -172.47 24.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.817 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.8 t 48.19 82.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.76 0.79 . . . . 0.0 109.854 -165.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.9 mt -89.11 139.13 30.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.371 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m -70.92 147.86 94.27 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.682 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.25 109.07 0.66 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.14 1.894 . . . . 0.0 111.395 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.453 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 50.8 tp -100.56 121.91 51.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.82 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 35' ' ' LEU . 6.5 Cg_endo -85.49 109.18 1.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.769 2.312 . . . . 0.0 111.24 174.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 12.6 p -75.1 -24.06 58.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.932 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -119.21 15.75 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.432 0.634 . . . . 0.0 110.728 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' B' ' 36' ' ' PRO . . . -137.61 89.15 2.39 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.302 0.572 . . . . 0.0 111.086 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.433 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 84.7 mmm -130.73 4.23 4.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.536 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.92 -6.15 20.51 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.85 -42.94 38.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.307 169.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.461 ' HB3' ' CE ' ' B' ' 44' ' ' MET . 47.0 mt -106.81 -70.69 0.78 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.152 -178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.814 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.3 pmm? -130.75 -65.81 0.78 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.505 HD13 ' CH2' ' B' ' 53' ' ' TRP . 65.6 mt -123.57 140.78 52.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.768 -0.583 . . . . 0.0 111.687 -165.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.464 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 p -87.92 128.05 55.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.021 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.523 ' HA ' ' HB ' ' B' ' 50' ' ' ILE . 75.9 Cg_exo -51.78 -40.97 64.76 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.907 3.071 . . . . 0.0 114.05 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.71 -46.54 81.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 111.316 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.489 ' HB3' ' HE1' ' B' ' 53' ' ' TRP . 9.1 m-20 -75.03 -39.07 61.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' B' ' 47' ' ' PRO . 6.2 mt -49.77 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.45 -5.62 25.05 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.505 ' CH2' HD13 ' B' ' 45' ' ' LEU . 44.0 p-90 -130.98 -30.54 1.78 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.529 ' CD2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -80.22 -39.83 28.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 -172.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 15.0 t -133.7 160.95 36.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -161.13 161.39 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.399 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.41 ' HB2' ' HD2' ' B' ' 58' ' ' PRO . 3.5 p-10 -140.49 168.83 13.27 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' B' ' 57' ' ' ASP . 77.4 Cg_exo -50.86 -32.42 37.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.857 2.371 . . . . 0.0 113.401 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.477 ' HA2' ' HD3' ' B' ' 60' ' ' PRO . . . 87.88 125.08 2.16 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.164 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.477 ' HD3' ' HA2' ' B' ' 59' ' ' GLY . 8.5 Cg_exo . . . . . 0 C--O 1.25 1.093 0 C-N-CA 123.104 2.536 . . . . 0.0 111.753 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -106.85 109.98 22.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.83 -88.88 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.976 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' HB3' ' HD2' ' A' ' 7' ' ' LYS . 10.4 t0 -137.35 118.88 10.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 72.8 Cg_endo -95.58 15.36 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.013 2.475 . . . . 0.0 113.689 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -106.64 8.93 31.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.104 0.478 . . . . 0.0 111.038 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 77' ' ' TYR . 15.5 ptmt -114.58 146.94 37.02 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.237 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.88 159.14 53.06 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.619 2.212 . . . . 0.0 111.653 177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' HD2' ' NE2' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -85.62 -32.24 22.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.83 -172.66 30.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.539 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HD2' ' HG2' ' A' ' 67' ' ' LYS . 31.6 mmtp -101.67 -50.62 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtm 36.57 -156.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.293 0.995 . . . . 0.0 112.797 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -121.36 170.66 9.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.52 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -57.72 -31.61 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.538 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -49.85 75.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.545 0.688 . . . . 0.0 110.019 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 1.016 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -67.32 -30.89 70.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.016 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 63' ' ' ALA . 3.3 m-85 -63.76 -34.52 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.236 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -56.99 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.257 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG13 ' CE2' ' A' ' 40' ' ' PHE . 24.3 t -66.38 -38.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.606 ' NE2' ' HD2' ' A' ' 9' ' ' ARG . 14.8 tt0 -49.98 -62.4 1.59 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.761 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -66.71 -35.59 80.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.25 -44.03 66.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.784 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.709 ' NH1' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -70.79 -29.95 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.323 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.709 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 27.3 tt0 -76.13 -44.38 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.75 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -60.1 -41.32 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.661 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 13.8 t-80 -61.3 -38.45 86.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.063 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -85.18 -29.05 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.94 -43.35 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.198 0.523 . . . . 0.0 110.435 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -98.8 -2.91 36.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.512 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.0 m-70 -149.79 85.06 5.73 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.1 -20.89 63.44 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.728 2.286 . . . . 0.0 113.829 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -98.79 -3.95 34.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -82.51 93.26 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.45 0.643 . . . . 0.0 110.971 -176.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.44 ' OG ' ' HB2' ' B' ' 57' ' ' ASP . 5.3 m -76.53 117.98 18.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.429 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -79.67 142.58 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -96.12 130.39 43.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -47.86 -53.3 16.07 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.623 0.577 . . . . 0.0 110.977 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.63 -50.4 72.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.528 0.68 . . . . 0.0 111.252 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.475 ' CE2' HG13 ' A' ' 19' ' ' VAL . 10.1 t80 -70.24 -47.53 60.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.467 -171.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -61.16 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.83 -53.47 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -175.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.516 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.29 -40.96 42.66 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.474 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 22.4 p -63.45 -51.58 65.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.574 0.226 . . . . 0.0 111.115 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -60.05 -34.1 72.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 51' ' ' MET . 31.2 ttm180 -67.39 -47.79 69.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.593 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 47.7 t-105 -58.34 -41.96 85.79 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.95 0.405 . . . . 0.0 110.513 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 45' ' ' SER . 65.9 mttm -59.05 -33.42 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -92.56 -0.97 57.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 0.0 111.811 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' A' ' 48' ' ' TRP . 82.9 mtp -81.15 147.93 29.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.46 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -88.84 174.74 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.88 91.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.692 -175.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -57.24 -48.59 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.645 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 1.8 mp0 -67.72 -34.38 76.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.927 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.77 -35.85 70.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.17 -33.89 88.45 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 16.7 tptm -55.0 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.866 0.466 . . . . 0.0 111.211 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 59.2 m-85 -78.18 -25.73 47.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.37 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.28 -33.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.99 0.424 . . . . 0.0 110.502 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 19.1 t70 -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 mtm -75.38 -33.25 61.01 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.617 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . . . -61.39 -47.77 84.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.813 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 22.9 pttp -69.58 -25.23 63.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.4 -49.69 52.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.958 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.8 -23.38 61.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.35 0.595 . . . . 0.0 109.975 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -54.5 -50.06 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.009 173.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.94 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.56 -43.95 95.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.446 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 52.1 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.354 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 38.9 mt-10 -58.57 -56.04 27.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.756 -176.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -67.98 -35.13 77.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.717 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -72.62 -24.5 61.07 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.568 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.422 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 1.6 mmt -64.47 -37.61 88.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 175.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.93 -21.61 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 p -101.73 11.25 39.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.325 0.583 . . . . 0.0 111.024 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 7' ' ' LYS . 78.8 t80 -111.67 119.83 39.99 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.946 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.2 mp -114.68 108.86 48.56 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 51.0 Cg_exo -54.63 137.14 73.09 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.876 2.384 . . . . 0.0 112.393 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 35.6 Cg_exo -59.95 150.92 75.4 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.069 2.513 . . . . 0.0 112.043 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.25 84.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.803 0.811 . . . . 0.0 111.044 -174.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.02 40.39 0.21 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.177 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 114.898 -0.651 . . . . 0.0 111.056 -173.069 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.96 0.409 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.3 t -116.63 -5.81 11.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.75 0.786 . . . . 0.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.605 ' HB3' ' HB2' ' B' ' 19' ' ' PHE . 18.6 mp0 -89.89 82.37 6.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 -173.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -87.42 -71.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.681 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 6.2 m -61.63 -36.33 80.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.161 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.605 ' HB2' ' HB3' ' B' ' 16' ' ' GLN . 50.3 m-85 -56.78 -32.53 65.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.536 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 12.1 t -93.53 -26.58 17.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.034 0.445 . . . . 0.0 110.401 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 30.0 t70 -76.41 -26.72 55.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 18' ' ' THR . 96.4 mt -57.43 -38.27 74.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.35 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.496 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 46.1 p-90 -94.98 -0.85 53.47 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.059 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 20' ' ' SER . 67.4 mttm -83.95 7.52 18.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.227 0.537 . . . . 0.0 110.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.61 4.44 36.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.925 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.537 ' O ' HD12 ' B' ' 26' ' ' LEU . 1.5 pp -102.47 127.37 30.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.778 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 10.6 Cg_endo -91.28 102.66 0.24 Allowed 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.309 2.672 . . . . 0.0 112.425 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -138.86 -167.63 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 10.5 t30 -72.2 -60.1 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 53.2 t30 173.23 137.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.779 0.674 . . . . 0.0 109.783 174.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.0 -29.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.3 0.571 . . . . 0.0 110.716 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.1 mt 67.11 108.56 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.961 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.477 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 45.6 m -75.5 127.8 85.32 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.311 172.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 33' ' ' SER . 51.7 Cg_exo -53.29 117.97 4.35 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.431 2.754 . . . . 0.0 113.587 -173.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 34.8 tp -108.39 129.82 23.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.597 177.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 35' ' ' LEU . 27.7 Cg_exo -63.28 153.45 74.17 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -90.89 16.22 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.46 -65.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.54 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.11 105.47 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.796 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.552 ' HA ' HD12 ' B' ' 43' ' ' LEU . 24.8 ttt -131.49 -44.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.254 0.55 . . . . 0.0 110.968 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.57 -50.13 16.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.256 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -96.9 27.9 3.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.57 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' B' ' 40' ' ' MET . 4.5 tt -55.56 -61.06 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.381 -173.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 1.016 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 2.1 mpt? -90.71 -71.21 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.181 0.515 . . . . 0.0 110.869 -177.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.426 HD23 ' HB1' ' A' ' 16' ' ' ALA . 26.6 mt -92.83 89.35 6.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.052 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 9.2 m -76.54 140.29 68.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.422 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 16.7 Cg_exo -67.12 13.23 0.15 Allowed 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 123.46 2.773 . . . . 0.0 113.503 -175.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 46' ' ' SER . 5.7 m-20 -65.06 -67.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.301 0.572 . . . . 0.0 110.24 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 12.8 t70 -102.42 -28.82 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.457 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.507 HD12 ' CD2' ' B' ' 54' ' ' PHE . 32.3 pt -66.51 -22.11 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 114.546 1.314 . . . . 0.0 114.546 -163.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' B' ' 54' ' ' PHE . 34.4 tt0 -63.86 -11.97 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 111.02 -169.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' B' ' 49' ' ' ASP . 30.6 mt-30 -60.54 -32.44 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.958 173.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.446 ' CE2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -128.14 -42.3 1.54 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.163 -177.383 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.507 ' CD2' HD12 ' B' ' 50' ' ' ILE . 1.1 t80 -91.43 104.53 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 109.716 177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.9 p -122.93 129.28 51.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.227 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -89.28 110.96 21.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.44 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 7.9 m-20 -62.38 133.68 94.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -175.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.09 14.54 1.52 Allowed 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.969 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.433 ' HA3' ' HD3' ' B' ' 60' ' ' PRO . . . 86.48 -117.83 4.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.796 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.433 ' HD3' ' HA3' ' B' ' 59' ' ' GLY . 4.9 Cg_exo . . . . . 0 C--O 1.25 1.087 0 C-N-CA 123.215 2.61 . . . . 0.0 112.361 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 112.07 -0.412 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -122.71 109.64 14.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.436 ' HA2' ' NE2' ' B' ' 52' ' ' GLN . . . -108.97 55.17 0.52 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.697 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.84 116.25 64.33 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.599 ' HG2' ' HE3' ' A' ' 6' ' ' LYS . 89.5 Cg_endo -80.07 14.74 1.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.683 2.256 . . . . 0.0 113.045 -176.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.599 ' HE3' ' HG2' ' A' ' 5' ' ' PRO . 28.6 mmtp -113.61 11.12 18.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.81 0.814 . . . . 0.0 109.583 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -85.12 151.92 57.8 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.513 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' HB3' ' OE1' ' A' ' 73' ' ' GLU . 50.0 Cg_exo -56.85 158.49 16.82 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.428 2.752 . . . . 0.0 112.44 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.919 ' HG3' ' HB2' ' B' ' 53' ' ' TRP . 19.2 ttm-85 -107.72 25.24 11.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.487 -171.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.549 ' HA3' ' OD1' ' A' ' 66' ' ' ASP . . . -96.47 -106.78 2.32 Favored Glycine 0 C--O 1.223 -0.543 0 C-N-CA 120.516 -0.85 . . . . 0.0 114.434 -172.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.742 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 2.95 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 -166.068 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' GLY . 41.3 mtm -95.32 168.99 10.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 119.337 0.971 . . . . 0.0 110.269 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -85.11 174.13 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.69 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -56.3 -36.96 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.203 -174.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.34 -53.13 60.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.849 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -72.27 -31.29 65.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 111.021 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.06 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.96 -51.86 62.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.43 -33.2 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.871 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -67.74 -49.59 61.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.88 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.4 t -60.11 -34.08 73.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.294 -0.162 . . . . 0.0 111.017 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.8 m -71.06 -39.31 72.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.086 0.47 . . . . 0.0 110.549 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 26.2 ttp180 -70.12 -49.04 54.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.832 0.825 . . . . 0.0 111.005 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -72.83 -30.75 64.28 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.901 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.8 tt0 -70.19 -29.47 66.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.063 0.458 . . . . 0.0 110.075 174.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD2' ' HB2' ' A' ' 30' ' ' HIS . 4.5 t-160 -59.82 -35.91 75.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.44 -44.63 95.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.439 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 53.6 mtmt -55.79 -35.63 66.5 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.92 0.391 . . . . 0.0 111.47 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -94.42 -25.82 16.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 0.0 111.033 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' HB2' ' HD2' ' A' ' 26' ' ' HIS . 61.4 m-70 -139.36 94.51 9.55 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.727 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.83 -14.93 45.99 Favored 'Trans proline' 0 N--CA 1.471 0.159 0 C-N-CA 122.767 2.311 . . . . 0.0 111.73 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.56 13.96 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.935 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.44 89.72 1.66 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.6 m -97.28 94.45 7.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 168.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -79.61 154.12 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -82.98 119.58 24.62 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HE2' HD12 ' B' ' 50' ' ' ILE . 70.0 m-85 -54.54 -45.74 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 0.0 110.533 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.421 ' HA ' ' CG ' ' B' ' 40' ' ' MET . 7.4 p -60.35 -58.83 6.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 8.3 mm-40 -55.36 -48.84 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.107 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 23' ' ' ARG . 31.4 t80 -70.29 -51.8 27.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.582 -171.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 t -64.39 -36.93 85.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.0 110.556 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.364 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -71.6 -37.17 71.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.7 -39.5 80.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.403 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.608 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.1 p -64.02 -48.87 74.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.634 0.254 . . . . 0.0 110.683 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.15 -37.25 86.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.595 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 51' ' ' MET . 71.3 ttt180 -62.68 -46.88 86.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -56.07 -43.69 78.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 45' ' ' SER . 87.1 mttt -66.63 -28.47 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -107.79 18.35 21.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 39.1 ttp -99.88 148.58 24.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -66.67 147.74 52.85 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.189 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . . . -60.68 -30.87 70.19 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.06 -46.87 78.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.258 0.551 . . . . 0.0 110.741 176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.94 -37.26 64.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 53' ' ' ALA . 57.0 mttm -57.42 -42.04 81.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.366 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.37 91.8 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.559 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -64.26 -47.13 80.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -68.97 -29.53 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -44.61 74.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.088 0.47 . . . . 0.0 109.86 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.99 -41.13 86.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.933 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.4 mtm -71.62 -30.23 65.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 66' ' ' ASP . . . -71.0 -35.25 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 50.4 mtpt -70.11 -35.93 74.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.85 81.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.082 174.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.549 ' OD1' ' HA3' ' A' ' 10' ' ' GLY . 15.1 t70 -58.35 -45.12 88.78 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.301 174.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 26.2 tptp -46.69 -51.57 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.554 0.534 . . . . 0.0 110.946 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 72' ' ' ARG . . . -75.99 -45.34 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.695 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -60.38 -44.46 95.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.246 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 8' ' ' PRO . 68.2 t80 -61.53 -37.99 85.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.7 mt-10 -70.36 -38.03 74.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 68' ' ' ALA . 37.8 mtp180 -65.08 -40.49 94.73 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.492 ' OE1' ' HB3' ' A' ' 8' ' ' PRO . 13.2 tt0 -63.49 -39.82 95.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.325 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.07 -26.03 68.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 47.4 mmtm -72.07 -14.15 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.871 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.9 p -112.92 -16.53 12.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -97.66 116.3 29.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.919 0.39 . . . . 0.0 110.617 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.1 mp -111.68 111.51 54.32 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.603 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.49 138.45 46.02 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.097 2.531 . . . . 0.0 111.875 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.88 109.05 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.752 2.302 . . . . 0.0 112.9 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 63.18 128.51 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.959 0.903 . . . . 0.0 113.283 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.25 -92.48 2.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 174.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 175.679 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 14' ' ' LEU . 6.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -77.34 -47.31 20.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.926 0.393 . . . . 0.0 110.189 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -102.87 150.3 23.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.46 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.3 -15.69 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.495 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.6 m -64.33 -28.98 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' B' ' 22' ' ' LEU . 80.4 m-85 -63.94 -23.51 67.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.23 -16.06 59.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.047 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.587 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 29.4 t70 -100.79 -20.16 15.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.46 . . . . 0.0 111.119 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 18' ' ' THR . 89.6 mt -61.42 -40.34 94.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.263 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -81.67 -1.87 48.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.7 0.286 . . . . 0.0 111.579 -173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.587 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 46.5 mtpt -79.16 24.94 0.31 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.86 10.75 4.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.368 0.604 . . . . 0.0 109.909 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 mt -95.41 152.78 39.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.167 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.28 96.57 0.28 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.546 2.164 . . . . 0.0 112.613 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -154.29 175.96 12.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.571 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -123.36 -41.44 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.536 0.208 . . . . 0.0 111.389 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -135.31 3.0 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t 64.31 61.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -169.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.9 139.77 41.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.61 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -60.16 149.97 73.08 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.984 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.43 111.1 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.662 2.241 . . . . 0.0 112.083 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.423 HD12 ' HD2' ' B' ' 36' ' ' PRO . 23.4 tp -144.61 126.8 8.19 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.034 -177.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' B' ' 39' ' ' ALA . 17.7 Cg_endo -59.07 143.86 99.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.81 2.34 . . . . 0.0 112.402 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -84.67 -10.31 57.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.921 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -122.15 23.17 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 111.272 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' B' ' 36' ' ' PRO . . . -81.88 -2.38 50.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.759 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.421 ' CG ' ' HA ' ' A' ' 38' ' ' SER . 1.5 pmm? -109.42 -9.97 14.92 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.663 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.487 ' OD2' ' HB2' ' B' ' 45' ' ' LEU . 43.6 t0 -90.28 11.69 20.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.006 0.908 . . . . 0.0 109.5 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.0 -26.2 64.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.809 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.61 -52.91 63.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.849 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 1.6 mpt? -105.27 -71.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.23 0.538 . . . . 0.0 111.15 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.541 HD23 ' HB1' ' A' ' 16' ' ' ALA . 59.8 mt -92.96 91.64 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.93 -172.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 50' ' ' ILE . 18.9 m -61.89 131.07 93.0 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.133 -174.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.47 ' O ' ' HG2' ' B' ' 51' ' ' GLU . 80.6 Cg_exo -49.03 -43.53 35.73 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.881 3.054 . . . . 0.0 114.539 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.36 -35.84 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.02 -42.61 20.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.448 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.889 ' HB ' ' HB3' ' B' ' 54' ' ' PHE . 15.7 pt -65.47 -19.5 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.562 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 25.8 mm-40 -62.97 -10.86 15.27 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.48 -177.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.436 ' NE2' ' HA2' ' A' ' 3' ' ' GLY . 73.9 mt-30 -101.71 -41.98 6.35 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.672 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.919 ' HB2' ' HG3' ' A' ' 9' ' ' ARG . 23.0 p-90 -124.94 18.47 8.51 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -171.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.889 ' HB3' ' HB ' ' B' ' 50' ' ' ILE . 0.5 OUTLIER -136.34 -57.58 0.75 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' B' ' 51' ' ' GLU . 1.9 m -78.28 105.29 9.42 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.068 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -71.18 89.78 0.86 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . 2.1 p-10 -85.85 137.4 35.75 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.267 -171.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 57' ' ' ASP . 95.7 Cg_endo -96.08 25.44 0.29 Allowed 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.501 2.801 . . . . 0.0 110.899 171.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.0 -140.34 16.32 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.535 2.156 . . . . 0.0 111.72 175.045 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.733 ' HE3' ' HB3' ' B' ' 56' ' ' GLU . 33.8 ttpt 61.12 45.16 9.36 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.821 0.819 . . . . 0.0 109.499 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.82 -135.61 2.53 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.756 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 7' ' ' LYS . 10.6 t70 -157.32 127.38 3.35 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 117.107 0.454 . . . . 0.0 110.695 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -87.67 6.16 5.2 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.903 2.402 . . . . 0.0 113.867 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 24.9 mmtp -123.11 17.95 9.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.19 0.519 . . . . 0.0 111.671 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' HD2' ' HB3' ' A' ' 4' ' ' ASP . 58.8 mttm -99.08 119.63 60.3 Favored Pre-proline 0 C--N 1.311 -1.071 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.078 174.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD3' ' HG2' ' A' ' 73' ' ' GLU . 11.9 Cg_endo -55.93 162.45 7.05 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.943 2.429 . . . . 0.0 111.438 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.703 ' HA ' HH11 ' A' ' 9' ' ' ARG . 2.1 tpp180 -83.09 -11.27 58.15 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.735 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 105.89 2.8 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.759 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -50.82 -45.11 59.32 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 123.99 0.464 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 51.7 mtm 35.26 -154.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 O-C-N 124.189 0.931 . . . . 0.0 113.359 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 m -95.94 160.14 14.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.862 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 p -61.25 -33.18 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.323 0.583 . . . . 0.0 110.539 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -51.55 68.97 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.092 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.25 -32.59 73.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.81 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.72 ' CZ ' ' HA ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -61.89 -32.91 73.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.941 178.375 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.624 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 83.3 t80 -57.59 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.992 175.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.544 HG23 ' SD ' ' B' ' 44' ' ' MET . 70.9 t -62.99 -42.3 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 110.507 176.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.432 ' NE2' ' HG3' ' A' ' 9' ' ' ARG . 20.0 tt0 -45.98 -58.29 3.69 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.474 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.24 -36.9 54.18 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.5 p -71.56 -33.02 68.74 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.249 0.547 . . . . 0.0 110.169 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.78 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 0.5 OUTLIER -62.25 -49.54 75.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.582 172.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.809 ' HG2' ' HE2' ' A' ' 28' ' ' LYS . 35.0 tt0 -70.7 -36.9 73.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.528 -177.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.09 -43.04 63.71 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.186 0.517 . . . . 0.0 110.249 171.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -61.02 -37.77 83.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.271 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -82.42 -21.54 35.68 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.24 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.809 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 63.9 mttm -69.73 -48.92 57.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.031 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -87.41 -16.97 33.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.627 -176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -139.59 81.24 20.3 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.83 -32.22 67.1 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.977 2.451 . . . . 0.0 112.418 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -75.13 -19.07 60.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.237 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.27 130.84 53.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 p -94.59 -168.89 1.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.15 157.39 40.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.458 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 38.9 m-80 -86.51 116.45 24.65 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.615 ' HE2' HD11 ' B' ' 50' ' ' ILE . 47.8 m-85 -44.77 -60.36 2.07 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.747 0.654 . . . . 0.0 112.187 -176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -64.97 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 -174.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 9.4 mm-40 -79.93 -51.87 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -60.91 -37.58 82.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.539 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 p -64.82 -50.91 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.712 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.6 ptpp? -61.2 -48.68 80.42 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -66.18 -45.14 81.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.101 -175.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.624 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 97.6 m -64.98 -35.31 80.77 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.441 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 32.8 t -65.17 -40.85 94.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.902 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 46.3 mt-10 -58.24 -45.02 88.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.006 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 51' ' ' MET . 70.5 ttt180 -66.38 -42.78 87.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.384 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -57.46 -49.65 75.57 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.585 0.231 . . . . 0.0 111.401 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 45' ' ' SER . 43.4 mttp -63.46 -23.31 67.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -112.98 17.93 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 0.0 111.658 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 52.1 ttp -103.15 156.82 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.849 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -64.02 145.56 55.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.505 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.9 -19.56 60.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -63.2 -45.55 91.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 2.2 mp0 -63.39 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.319 176.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.97 -47.51 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.272 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -29.85 75.48 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.095 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 55' ' ' GLU . 33.3 ttpt -62.93 -44.52 95.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.502 175.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -66.28 -35.56 80.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.36 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 110.627 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.77 -42.45 97.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.206 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.98 -28.07 64.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.457 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.72 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . . . -61.23 -41.93 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 109.839 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -65.38 -31.51 72.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.412 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.22 51.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.17 -34.51 77.69 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 1.5 tmtp? -57.7 -46.5 84.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.228 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . . . -70.95 -36.77 72.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 110.744 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -66.17 -42.64 88.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 67' ' ' LYS . 24.6 t80 -49.28 -46.59 46.58 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.07 0.948 . . . . 0.0 110.556 174.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 45.8 mt-10 -51.89 -54.05 33.72 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.152 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 72' ' ' ARG . 3.9 mpt_? -79.43 -32.72 42.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -176.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' HD3' ' A' ' 8' ' ' PRO . 6.6 tp10 -61.68 -47.63 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.297 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.3 mmt -70.36 -28.23 64.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.432 -176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -79.77 -24.83 41.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.65 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.5 p -93.87 -8.87 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 110.698 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.571 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -91.56 115.05 27.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.189 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 78' ' ' ILE . 3.5 mp -95.61 103.22 12.04 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HD3' ' O ' ' A' ' 77' ' ' TYR . 9.3 Cg_endo -85.78 151.21 9.96 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.998 2.465 . . . . 0.0 111.975 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.14 134.12 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.475 2.116 . . . . 0.0 110.628 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -66.33 107.52 2.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.9 41.97 0.23 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 1.8 mp0 . . . . . 0 C--O 1.235 0.313 0 C-N-CA 123.066 0.546 . . . . 0.0 111.701 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -96.58 -15.03 21.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 61.47 26.75 16.44 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.181 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -74.14 -70.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.989 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 11.5 p -92.27 18.75 7.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.929 0.395 . . . . 0.0 111.556 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -58.83 -37.58 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.132 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.441 ' O ' ' HE2' ' B' ' 24' ' ' LYS . 16.4 m -73.95 -23.17 59.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.656 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' B' ' 24' ' ' LYS . 4.5 m-20 -91.05 -11.64 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.661 0.267 . . . . 0.0 111.08 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 18' ' ' THR . 95.8 mt -62.68 -38.31 89.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.268 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -92.72 -0.2 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.811 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' B' ' 20' ' ' SER . 61.6 mttm -75.18 19.83 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 111.921 -175.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.3 mt -80.79 -27.87 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.186 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.451 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.9 pp -96.14 145.34 29.39 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 2.0 Cg_endo -81.95 92.84 0.96 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.241 1.961 . . . . 0.0 113.549 -174.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -173.78 46.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.898 165.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 9.7 p30 -130.44 -44.1 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.287 -177.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 7.0 t30 167.42 -35.13 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.188 -175.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t 70.29 100.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.026 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.16 76.55 9.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.352 0.596 . . . . 0.0 109.649 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -77.46 116.0 54.16 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.775 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -87.47 -173.65 1.1 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.947 2.432 . . . . 0.0 112.512 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.513 HD12 ' HD2' ' B' ' 36' ' ' PRO . 19.9 tp -78.59 130.12 72.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.513 ' HD2' HD12 ' B' ' 35' ' ' LEU . 10.5 Cg_endo -58.31 108.89 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.452 2.101 . . . . 0.0 111.399 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -112.82 25.68 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.294 -171.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -72.24 -22.91 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.82 139.5 38.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB2' ' B' ' 43' ' ' LEU . 49.2 ttm -112.68 -37.53 4.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.317 0.58 . . . . 0.0 110.037 175.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.0 -46.75 67.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.382 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -88.73 25.77 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.079 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' B' ' 40' ' ' MET . 0.5 OUTLIER -63.75 -38.35 90.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.323 -177.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 19' ' ' VAL . 14.7 mtm -131.54 -71.75 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.518 HD23 ' HB1' ' A' ' 16' ' ' ALA . 41.3 mt -89.11 103.46 16.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.454 ' O ' HG12 ' B' ' 50' ' ' ILE . 74.9 m -71.73 110.82 8.47 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.355 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.45 ' HA ' HD11 ' B' ' 50' ' ' ILE . 87.1 Cg_exo -46.78 -34.12 15.21 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.559 3.506 . . . . 0.0 114.791 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -71.01 -41.73 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -174.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.66 -33.23 14.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.373 -174.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.741 HD12 ' CD2' ' B' ' 54' ' ' PHE . 22.6 pt -73.87 -17.74 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.408 -177.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -48.31 -37.63 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.142 0.901 . . . . 0.0 112.184 -170.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.636 ' HG3' ' CD1' ' B' ' 53' ' ' TRP . 19.4 pt20 -59.22 -25.18 63.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -177.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.636 ' CD1' ' HG3' ' B' ' 52' ' ' GLN . 7.3 p-90 -131.19 -18.59 2.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.78 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 1.8 t80 -77.75 -50.78 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -108.62 145.37 35.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.961 -170.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.733 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 66.8 mt-10 -68.41 128.71 37.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.46 132.58 85.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.36 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.29 -16.44 51.65 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.623 2.882 . . . . 0.0 114.047 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.11 106.33 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.088 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo . . . . . 0 C--O 1.246 0.885 0 C-N-CA 123.31 2.673 . . . . 0.0 111.667 177.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -164.27 -0.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 110.994 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.28 -153.35 30.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.462 -175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.21 125.84 34.0 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.47 15.39 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.923 2.415 . . . . 0.0 113.722 -174.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -121.0 27.16 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.356 0.598 . . . . 0.0 110.412 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -90.35 116.49 66.5 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.163 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -90.1 154.22 4.77 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.914 2.41 . . . . 0.0 111.129 173.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.674 ' HB3' ' SD ' ' A' ' 12' ' ' MET . 2.8 mtm180 -83.24 -25.7 31.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.298 0.57 . . . . 0.0 110.954 -178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.641 ' HA2' ' CD1' ' A' ' 70' ' ' TYR . . . 116.87 -136.24 12.59 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.709 173.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -92.64 22.69 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.023 0.439 . . . . 0.0 110.513 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.674 ' SD ' ' HB3' ' A' ' 9' ' ' ARG . 76.9 mtp -59.95 112.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 13.3 t -84.66 -173.5 4.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.441 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.503 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 7.3 p -52.88 -39.47 62.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.479 0.712 . . . . 0.0 112.653 -172.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.6 -63.77 1.18 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.96 0.41 . . . . 0.0 110.707 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB1' HD23 ' B' ' 45' ' ' LEU . . . -67.87 -28.46 67.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 111.066 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -70.58 -37.89 74.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.023 -178.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -46.78 70.03 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.305 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' B' ' 44' ' ' MET . 0.2 OUTLIER -63.57 -53.58 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.049 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.811 HE22 ' HB2' ' B' ' 54' ' ' PHE . 5.5 tp-100 -58.9 -45.83 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.982 -173.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 12.4 t -62.07 -32.4 72.93 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.2 -176.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.0 m -86.23 -37.85 18.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.433 0.635 . . . . 0.0 110.382 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' A' ' 35' ' ' VAL . 19.2 ttt180 -66.23 -49.36 67.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.641 -177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 29.4 tt0 -73.05 -31.83 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 21' ' ' THR . 9.7 tp10 -57.56 -49.36 76.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.317 0.579 . . . . 0.0 109.756 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -66.37 -29.37 69.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.257 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -71.22 -38.52 72.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.917 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 34.8 mmtp -71.09 -51.16 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.067 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HE2' ' HG3' ' A' ' 25' ' ' GLU . 54.1 mtmt -70.76 -27.37 63.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -177.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -130.78 90.77 39.08 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 0.0 111.094 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -67.47 -26.87 40.19 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.632 2.221 . . . . 0.0 110.561 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -72.92 -19.36 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.443 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.67 117.54 34.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.029 0.443 . . . . 0.0 111.696 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 m -97.68 160.61 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.115 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG21 ' HE ' ' A' ' 23' ' ' ARG . 5.5 m -123.33 145.64 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -80.86 136.35 36.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 4.3 m-30 -58.63 -56.15 25.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.216 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.597 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 24.9 m -73.55 -46.08 49.6 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.116 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -54.64 -56.7 16.34 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.051 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.31 -40.1 89.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.551 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -72.3 -26.29 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 38' ' ' SER . 98.4 mttt -56.6 -68.26 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.662 0.744 . . . . 0.0 110.323 176.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -69.52 -25.6 64.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.076 -173.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.6 m -72.2 -34.84 68.69 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.994 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.768 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 19.6 t -61.77 -52.95 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.7 -37.74 76.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 51' ' ' MET . 66.0 ttt180 -58.16 -51.73 68.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.937 176.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -56.08 -42.77 77.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.012 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.768 ' HG3' ' O ' ' A' ' 45' ' ' SER . 78.2 mttt -66.03 -19.19 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.149 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -126.46 18.5 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.66 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 38.7 ttp -93.24 151.62 19.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.01 0.433 . . . . 0.0 111.557 -172.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -61.97 149.78 39.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.759 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.97 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.732 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -56.3 -50.6 70.96 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.633 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.59 -48.79 80.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.344 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -56.93 -50.47 72.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.345 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.69 -40.27 94.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.001 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -60.24 -48.39 81.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.15 -37.13 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.532 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 36.0 tt0 -65.93 -35.35 80.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.604 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.747 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 14.4 t70 -69.65 -45.08 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.75 -29.34 69.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.18 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.276 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.747 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 55.4 pttt -60.94 -31.26 70.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 110.163 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -64.23 -58.98 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.115 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 69' ' ' ARG . 3.6 t70 -69.2 -26.25 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 5.6 tmtm? -61.69 -46.57 89.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.679 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.56 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' ' HA ' ' A' ' 66' ' ' ASP . 96.9 mtt180 -71.53 -31.19 66.76 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.864 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.641 ' CD1' ' HA2' ' A' ' 10' ' ' GLY . 35.6 t80 -58.07 -41.25 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 109.674 171.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -59.55 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -67.83 -41.95 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.42 -173.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.97 -47.78 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.805 ' HA ' ' HB3' ' A' ' 77' ' ' TYR . 26.9 ttm -70.17 -11.29 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.488 . . . . 0.0 110.391 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.21 -35.7 76.01 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.637 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.6 p -108.13 -17.83 13.93 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.693 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.805 ' HB3' ' HA ' ' A' ' 74' ' ' MET . 58.1 t80 -87.56 125.28 34.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.05 110.69 62.2 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.151 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 41.9 Cg_exo -57.16 132.46 51.44 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.471 2.114 . . . . 0.0 111.315 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 53.2 Cg_exo -55.15 129.4 35.07 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.902 2.401 . . . . 0.0 112.526 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -75.21 98.34 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.64 161.25 8.65 Favored Glycine 0 N--CA 1.435 -1.423 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.79 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' B' ' 17' ' ' GLU . 5.1 mp . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -43.98 53.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 16' ' ' GLN . 26.3 pt20 -130.16 70.75 1.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 175.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.795 ' HG3' ' H ' ' B' ' 18' ' ' THR . 6.5 pt-20 -62.89 -69.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.318 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.795 ' H ' ' HG3' ' B' ' 17' ' ' GLU . 28.1 p -107.05 -4.6 18.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.385 0.612 . . . . 0.0 110.563 176.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.467 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 96.1 m-85 -67.34 -23.17 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.71 -173.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 p -75.86 -27.22 57.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.28 0.562 . . . . 0.0 110.947 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.28 -4.45 29.28 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.324 -174.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' B' ' 19' ' ' PHE . 90.6 mt -59.44 -39.76 84.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -87.42 -9.64 54.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.332 0.587 . . . . 0.0 109.999 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -93.62 24.44 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.931 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.12 -18.15 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.138 0.494 . . . . 0.0 110.442 176.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 26' ' ' LEU . 0.9 OUTLIER -80.97 138.41 49.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.768 173.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.6 Cg_exo -75.0 94.97 0.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.246 1.964 . . . . 0.0 111.697 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -142.1 169.21 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.573 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 28.6 p-10 -69.15 -37.55 78.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' B' ' 29' ' ' ASN . 57.1 t30 163.22 -22.5 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.707 0.803 . . . . 0.0 109.192 -173.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t 76.06 87.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.448 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.444 ' O ' ' HD3' ' B' ' 34' ' ' PRO . 90.7 mt -116.06 22.3 13.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.691 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.9 t -108.88 98.91 32.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.363 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' B' ' 32' ' ' LEU . 87.1 Cg_endo -92.84 162.0 2.73 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.811 2.34 . . . . 0.0 111.967 176.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.8 tp -97.98 108.69 47.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 120.62 7.57 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.636 2.224 . . . . 0.0 111.707 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.3 p -89.6 -34.55 16.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.222 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -110.63 -70.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.582 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.88 175.05 8.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.379 0.609 . . . . 0.0 112.389 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.472 ' HB2' HD23 ' B' ' 43' ' ' LEU . 0.0 OUTLIER -113.99 30.62 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.44 177.039 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.531 ' HB3' ' HD2' ' B' ' 47' ' ' PRO . 3.7 p30 -54.14 -12.8 0.68 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.502 -175.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.51 -33.04 74.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.329 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' B' ' 40' ' ' MET . 3.9 mm? -62.7 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -168.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.462 ' HB3' HG21 ' A' ' 19' ' ' VAL . 35.0 mtm -137.97 -73.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.428 HD23 ' HB1' ' A' ' 16' ' ' ALA . 23.3 mt -96.01 97.5 9.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.581 ' O ' HG13 ' B' ' 50' ' ' ILE . 9.8 m -63.41 116.26 24.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.213 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 88.4 Cg_exo -47.7 -40.02 30.87 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.779 2.986 . . . . 0.0 113.81 -176.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.24 -40.96 87.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.8 -25.07 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.444 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 46' ' ' SER . 16.0 mt -47.43 -44.15 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.06 -15.73 15.19 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.15 -27.14 26.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.667 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.433 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -127.99 -60.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.988 -174.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.811 ' HB2' HE22 ' A' ' 20' ' ' GLN . 0.1 OUTLIER -79.35 107.77 12.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.708 . . . . 0.0 109.237 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 8.3 p -123.25 117.96 26.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.969 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -91.61 145.27 24.73 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -138.61 145.08 44.84 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -90.82 25.87 0.5 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.21 2.607 . . . . 0.0 113.195 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' B' ' 60' ' ' PRO . . . 98.31 116.34 3.61 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.218 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' B' ' 59' ' ' GLY . 9.4 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 123.559 2.84 . . . . 0.0 111.923 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -122.22 109.91 15.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.12 5.92 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.881 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -78.15 115.85 54.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.1 14.27 2.41 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.598 2.199 . . . . 0.0 113.126 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -119.78 21.35 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.306 0.574 . . . . 0.0 110.575 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HB3' ' HD2' ' A' ' 8' ' ' PRO . 86.7 mttt -91.98 167.93 14.11 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.124 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 7' ' ' LYS . 53.3 Cg_exo -54.47 174.21 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.064 2.509 . . . . 0.0 113.366 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -68.28 -47.87 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.465 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.41 162.72 11.84 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.36 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -96.03 24.84 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.243 0.617 . . . . 0.0 110.643 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.439 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.9 mtm -55.01 156.94 3.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.224 -173.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -82.74 -179.13 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -56.19 -43.51 78.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.223 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.53 -43.56 75.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -177.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HA ' ' CB ' ' B' ' 44' ' ' MET . . . -77.2 -36.3 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.38 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -36.61 84.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.573 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 59' ' ' PHE . 39.9 t80 -55.75 -53.63 54.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.862 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG21 ' SD ' ' B' ' 44' ' ' MET . 4.7 t -68.47 -32.5 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.985 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -64.5 -56.07 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.381 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 10.1 t -61.93 -37.05 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.716 -173.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 p -78.19 -37.9 44.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.791 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.021 0.438 . . . . 0.0 110.356 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.45 -29.12 61.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 21' ' ' THR . 6.7 tp10 -60.87 -42.44 97.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.356 0.598 . . . . 0.0 109.964 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -76.06 -25.24 55.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.498 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -79.96 -27.4 39.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -74.39 -45.72 44.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.711 0.291 . . . . 0.0 110.683 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -77.45 -21.82 52.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.838 0.352 . . . . 0.0 111.577 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 41.5 m-70 -136.08 88.36 22.14 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.551 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.15 -16.84 49.89 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.663 2.242 . . . . 0.0 111.081 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -86.08 -26.56 25.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.717 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 30' ' ' HIS . . . -100.79 91.67 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 t -83.22 125.06 31.15 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 m -72.71 141.13 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.216 0.531 . . . . 0.0 110.792 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 38.8 t30 -79.12 138.25 37.83 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.891 175.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.818 ' HE2' HD11 ' B' ' 50' ' ' ILE . 58.1 m-85 -59.82 -42.99 94.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.658 0.266 . . . . 0.0 111.163 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.435 ' HB2' ' ND2' ' A' ' 36' ' ' ASN . 13.4 m -61.39 -45.75 93.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.534 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 36' ' ' ASN . 8.3 pt-20 -69.15 -48.0 63.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -172.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 6.8 t80 -78.04 -53.53 7.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.371 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' B' ' 41' ' ' ASP . 71.0 m -55.54 -44.2 76.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.396 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -59.89 -56.76 17.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.657 0.265 . . . . 0.0 111.177 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 56.2 pttt -69.73 -35.86 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.674 -175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.24 -29.06 64.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.452 0.168 . . . . 0.0 111.452 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.743 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 66.7 m -58.3 -58.43 8.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -66.3 -33.23 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.715 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' O ' ' HG3' ' A' ' 51' ' ' MET . 77.4 ttt180 -57.88 -50.23 74.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.701 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -63.65 -42.36 98.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.743 ' HG3' ' O ' ' A' ' 45' ' ' SER . 62.9 mttm -62.63 -21.44 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.593 -174.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -104.38 7.31 35.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 82.9 mtp -88.27 159.29 18.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.692 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -86.75 158.13 19.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.98 70.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.114 -0.493 . . . . 0.0 112.26 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -62.81 -44.28 96.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.093 0.473 . . . . 0.0 111.078 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.67 -35.71 60.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -62.35 -35.25 78.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.068 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.03 76.89 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.359 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -63.2 -46.43 87.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.515 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 96.4 m-85 -72.41 -25.11 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.828 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -74.14 -37.26 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.887 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 20.7 t70 -66.53 -46.66 75.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.042 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.515 ' HG2' ' HA ' ' A' ' 59' ' ' PHE . 24.1 ptp -63.72 -26.35 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.23 -46.84 31.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.57 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 21.4 pttp -72.13 -24.83 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 110.597 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.43 74.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.402 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.39 -32.6 72.78 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -55.49 -47.02 76.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.491 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -65.23 -37.96 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.527 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 16.6 tpt180 -64.35 -47.5 79.1 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -53.14 -48.26 68.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 123.634 0.584 . . . . 0.0 110.952 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 8.6 mm-40 -57.58 -53.4 58.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.164 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 28.3 mmt180 -68.77 -32.93 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.541 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' ARG . 6.0 tp10 -62.05 -55.33 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.499 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -73.68 -13.25 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.29 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 66.2 mmtt -70.66 -27.61 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.046 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 t -115.1 -46.51 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.882 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 t80 44.46 111.77 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.399 1.079 . . . . 0.0 113.261 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.0 mp -97.78 110.9 57.33 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.63 113.25 0.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.626 2.217 . . . . 0.0 112.22 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 169.05 22.44 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.696 2.264 . . . . 0.0 111.798 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -76.99 75.87 3.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 110.992 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.13 51.5 0.61 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 174.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 114.918 -0.641 . . . . 0.0 111.216 -171.45 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -80.11 -17.08 53.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -129.63 128.38 42.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.227 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -70.27 -10.75 59.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.329 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 4.9 m -56.17 -34.04 65.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.66 0.266 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.21 -30.97 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 0.0 111.082 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -86.17 -3.0 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.395 0.617 . . . . 0.0 110.028 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -100.9 -11.05 20.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.829 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 18' ' ' THR . 87.2 mt -66.74 -42.95 85.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.403 -173.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 p-90 -76.92 -0.54 24.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.97 26.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.435 . . . . 0.0 111.599 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.44 -18.94 59.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.109 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.522 ' HA ' ' HD3' ' B' ' 27' ' ' PRO . 2.1 pp -102.85 128.19 28.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 175.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' B' ' 26' ' ' LEU . 3.7 Cg_exo -79.12 94.33 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.605 2.203 . . . . 0.0 112.942 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 179.55 -166.26 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 170.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -102.72 -63.54 1.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -169.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -125.53 15.54 8.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.382 -169.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t 65.21 81.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.77 0.795 . . . . 0.0 110.632 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.0 mt -119.5 35.7 4.75 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.585 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -59.04 127.96 84.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.607 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.19 -173.08 1.63 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.169 2.579 . . . . 0.0 112.278 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.465 HD12 ' HD2' ' B' ' 36' ' ' PRO . 52.7 tp -55.26 120.42 30.32 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.504 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.465 ' HD2' HD12 ' B' ' 35' ' ' LEU . 48.4 Cg_exo -57.9 120.3 8.12 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.97 2.446 . . . . 0.0 112.222 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 21.3 t -83.15 41.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.402 0.62 . . . . 0.0 110.237 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -71.89 -40.82 68.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.768 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.59 96.58 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.606 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.771 ' HG3' ' H ' ' B' ' 41' ' ' ASP . 21.0 ptt? -123.79 -71.87 0.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.771 ' H ' ' HG3' ' B' ' 40' ' ' MET . 21.2 m-20 -120.65 11.58 11.28 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.429 0.633 . . . . 0.0 110.345 -176.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -78.69 35.2 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.827 0.823 . . . . 0.0 110.096 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' B' ' 41' ' ' ASP . 6.7 mt -66.84 -38.09 85.72 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.728 -171.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.534 ' SD ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.69 -70.66 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.567 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' B' ' 50' ' ' ILE . 39.6 mt -88.22 88.88 7.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.653 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.426 ' O ' HG12 ' B' ' 50' ' ' ILE . 23.9 m -81.33 132.79 54.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.489 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -43.03 -44.53 9.47 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.221 3.281 . . . . 0.0 115.081 -171.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.03 -48.45 73.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.495 0.664 . . . . 0.0 111.109 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.818 HD11 ' HE2' ' A' ' 37' ' ' PHE . 21.1 pt -91.71 -9.01 10.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.752 -171.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.507 ' HG3' ' HB ' ' B' ' 55' ' ' THR . 36.2 tt0 -61.92 -6.32 2.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.345 0.593 . . . . 0.0 111.44 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.624 ' HB2' ' CD1' ' B' ' 53' ' ' TRP . 7.7 mt-30 -77.46 -34.87 54.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.164 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.624 ' CD1' ' HB2' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -130.97 -44.87 1.04 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.099 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.547 ' HD2' HD13 ' B' ' 45' ' ' LEU . 0.3 OUTLIER -67.27 -60.03 2.93 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' B' ' 51' ' ' GLU . 1.7 m -75.64 142.24 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.265 -173.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.45 161.86 20.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.121 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.65 135.55 94.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.326 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.51 -13.57 34.09 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.454 2.77 . . . . 0.0 113.543 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 -150.83 8.06 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 C--O 1.249 1.05 0 C-N-CA 122.936 2.424 . . . . 0.0 111.618 178.717 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.244 -0.343 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -91.45 -77.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.028 0.442 . . . . 0.0 110.448 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.06 156.03 15.84 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.631 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 23.3 t70 -152.79 130.59 6.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 6.3 Cg_exo -73.69 -3.68 14.14 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.938 2.425 . . . . 0.0 113.356 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -110.8 11.22 22.53 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.772 0.796 . . . . 0.0 109.875 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -93.88 115.07 64.66 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.035 174.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 3.2 Cg_exo -70.9 168.3 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.608 2.205 . . . . 0.0 111.692 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 25.2 ttm105 -67.66 -26.79 66.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.542 . . . . 0.0 110.06 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' HA2' ' CE1' ' A' ' 70' ' ' TYR . . . 116.59 -135.74 12.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.717 170.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HE2' ' HG3' ' A' ' 67' ' ' LYS . 16.3 ptpt -130.94 24.93 4.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.081 -174.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.486 ' HE3' ' HB1' ' A' ' 16' ' ' ALA . 62.7 mtp -32.14 126.93 0.25 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.75 1.281 . . . . 0.0 112.666 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -66.95 169.99 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.299 -177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 p -54.81 -39.09 68.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.719 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.1 t80 -57.22 -48.24 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.405 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.708 ' HA ' ' HB3' ' B' ' 44' ' ' MET . . . -76.37 -29.5 57.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 110.538 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' HE2' ' HB3' ' A' ' 44' ' ' CYS . 42.3 t80 -55.04 -47.41 74.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.319 173.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 15' ' ' TYR . 2.6 t -68.08 -40.5 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.462 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.71 -56.72 17.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.412 HG21 ' HE1' ' A' ' 59' ' ' PHE . 7.8 t -62.34 -37.0 83.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.161 0.288 . . . . 0.0 111.614 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.3 m -72.78 -43.74 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.362 0.601 . . . . 0.0 110.358 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.717 ' NH1' ' HA ' ' B' ' 54' ' ' PHE . 19.3 ttp85 -67.63 -54.8 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.923 -177.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.798 ' HG2' ' HE3' ' A' ' 28' ' ' LYS . 33.0 tt0 -74.78 -37.57 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.084 -167.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.67 -39.32 94.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.678 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -62.17 -31.69 72.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.92 -38.18 37.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.798 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 96.6 mttt -71.35 -36.18 71.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.92 -23.05 31.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -139.84 83.9 15.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.33 -38.86 32.36 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.611 2.208 . . . . 0.0 111.759 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -66.86 -26.57 66.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.454 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.35 105.82 12.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.2 m -89.7 137.91 31.93 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 m -88.37 155.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.572 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 43.6 m-80 -88.64 116.16 26.69 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -52.41 -59.59 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -64.05 -35.48 80.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.355 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 36' ' ' ASN . 20.5 mm-40 -67.94 -47.65 68.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.754 0.311 . . . . 0.0 110.986 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.92 -53.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.324 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -61.55 -36.24 80.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -63.06 -55.15 27.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.418 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -70.83 -35.12 72.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.336 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HB3' ' HE2' ' A' ' 18' ' ' PHE . 84.5 m -73.25 -27.89 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 91.6 p -64.64 -50.6 66.45 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.63 -37.73 88.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -55.66 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.692 175.104 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -52.97 -53.38 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 45' ' ' SER . 94.0 mttt -63.5 -30.54 71.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.936 -172.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.7 p -96.81 2.72 52.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 50.6 mtm -75.02 168.73 19.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.324 175.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 p -83.63 161.85 20.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.05 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.595 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -67.86 -32.75 73.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.02 -46.89 27.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.84 -39.13 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.786 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.57 -36.94 93.36 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.5 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -58.95 -50.87 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HE1' HG21 ' A' ' 21' ' ' THR . 94.0 m-85 -65.69 -31.24 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.925 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.704 ' HA ' ' HB3' ' A' ' 14' ' ' SER . 35.2 tt0 -69.21 -40.47 77.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.001 0.429 . . . . 0.0 110.485 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 28.9 t70 -70.79 -27.28 63.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.91 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtm -77.52 -33.03 54.42 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.092 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.86 -48.08 69.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.037 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 18.7 ptmt -61.62 -34.01 74.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.503 177.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.88 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.643 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 13.2 t0 -66.8 -42.55 85.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 36.8 ttpt -56.14 -42.45 76.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.671 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -62.45 -49.68 74.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.384 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 66' ' ' ASP . 34.4 ptt180 -66.34 -30.23 70.58 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.236 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 87.1 t80 -66.11 -50.63 63.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.45 174.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 17.8 mm-40 -56.03 -37.58 69.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.831 0.452 . . . . 0.0 110.649 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 24.6 mmt180 -57.78 -54.17 49.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.01 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.8 -15.71 47.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.457 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -28.83 68.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 0.0 110.066 176.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 3.7 mmmp? -67.58 -30.85 70.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.229 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 p -99.52 -37.38 9.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.853 0.358 . . . . 0.0 111.701 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -88.74 109.13 19.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.112 0.482 . . . . 0.0 110.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.9 mp -110.22 106.07 57.72 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 73.1 Cg_exo -48.79 134.1 27.88 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.331 2.688 . . . . 0.0 113.33 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 23.4 Cg_exo -64.24 144.32 86.09 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.269 2.646 . . . . 0.0 112.071 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -105.26 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.483 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.11 39.55 0.55 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.934 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.643 0.259 . . . . 0.0 110.332 -178.808 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.777 0.322 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -62.54 -15.99 53.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 111.055 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -65.39 -13.32 58.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.09 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.04 -26.52 67.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -89.49 -40.55 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.134 0.492 . . . . 0.0 110.219 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -67.27 -28.28 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 31.5 p -64.3 -35.88 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 0.1 OUTLIER -83.62 -5.11 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.786 0.327 . . . . 0.0 111.275 -176.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.87 -27.49 63.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.531 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 67.0 p-90 -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.716 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' B' ' 21' ' ' ASP . 51.0 mtpt -76.38 20.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 111.781 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.3 -18.79 41.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 109.879 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 23' ' ' TRP . 2.6 pp -81.08 154.29 72.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.012 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.22 95.07 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.095 1.863 . . . . 0.0 111.242 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -143.93 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.714 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -52.31 -48.02 65.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.687 0.28 . . . . 0.0 110.305 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' B' ' 31' ' ' VAL . 8.5 t30 -179.5 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.636 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' B' ' 30' ' ' ASN . 86.2 t 74.29 94.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.327 0.584 . . . . 0.0 109.965 -171.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -105.7 119.4 39.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.464 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -95.36 123.98 54.95 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.18 118.45 4.59 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.85 2.366 . . . . 0.0 112.306 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 tp -156.44 108.28 2.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.34 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.38 117.63 4.1 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.485 2.124 . . . . 0.0 112.458 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.8 m -83.96 -16.09 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -97.88 9.68 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . 68.76 170.38 0.29 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.876 0.735 . . . . 0.0 110.969 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' ASP . 37.3 ttp -130.95 -2.11 4.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' B' ' 43' ' ' LEU . 44.2 m-20 17.04 21.05 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 -170.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' B' ' 40' ' ' MET . 10.2 p-10 -71.41 27.15 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.354 0.662 . . . . 0.0 112.146 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' B' ' 41' ' ' ASP . 91.9 mt -61.83 -35.31 77.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.662 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.708 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -130.34 -71.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.161 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 10.9 mt -92.45 109.75 21.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.335 -174.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 6.1 p -70.82 128.54 90.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.888 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 46' ' ' SER . 52.1 Cg_exo -56.58 -25.06 57.13 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.207 2.605 . . . . 0.0 112.632 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.99 -45.06 95.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -94.88 -22.92 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.312 -174.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' B' ' 54' ' ' PHE . 3.6 mt -47.61 -41.81 8.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.878 -1.056 . . . . 0.0 113.586 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.84 -5.92 3.27 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -97.46 -40.57 8.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -130.7 -16.33 3.37 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -170.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.726 ' HB3' HG23 ' B' ' 50' ' ' ILE . 1.6 t80 -89.77 -35.59 15.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -173.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 25.3 p -89.47 -177.57 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.98 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -72.0 159.52 34.07 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.958 0.409 . . . . 0.0 110.903 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -138.87 139.06 22.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.84 -24.59 76.56 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.35 2.7 . . . . 0.0 113.101 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.38 122.78 5.83 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.884 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.702 2.268 . . . . 0.0 112.256 -179.928 . . . . . . . . 0 0 . 1 stop_ save_