data_2kkv_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 2kkv _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 ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.525 0.678 . . . . 74.02 109.788 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 p -74.47 -179.31 3.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.069 -0.968 . . . . 72.21 112.902 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.697 ' HA ' HD11 ' A' ' 48' ' ' ILE . 14.0 t80 -57.74 -25.82 60.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.91 -1.041 . . . . 63.11 111.384 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.36 -54.91 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 62.41 111.774 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.6 m -73.08 -30.69 63.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.883 -0.599 . . . . 73.11 111.79 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.87 -34.31 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.996 0.427 . . . . 74.13 110.441 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.58 -31.9 72.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.222 0.534 . . . . 74.22 110.732 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.527 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 5.2 tmm_? -72.95 -34.6 66.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 72.2 110.056 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 55.5 mm-40 -56.58 -54.1 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.598 0.592 . . . . 74.13 112.598 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.761 ' HE1' HG12 ' A' ' 82' ' ' ILE . 38.1 p-90 -77.19 -24.99 51.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.34 -0.544 . . . . 75.13 111.073 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -67.02 -34.03 76.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.48 0.548 . . . . 72.43 112.48 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.83 -10.58 54.1 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.101 0.408 . . . . 73.41 112.101 -172.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 -4.46 56.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.277 0.561 . . . . 74.34 109.831 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 63.07 92.87 0.06 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.733 -1.121 . . . . 64.35 111.345 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 3.0 tmtp? -104.58 -35.15 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.603 -0.726 . . . . 74.51 109.545 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HG2' ' H ' ' A' ' 23' ' ' TRP . 26.7 ttt180 -141.33 169.0 18.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.458 -0.571 . . . . 72.34 109.458 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.445 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -102.07 -172.13 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.426 0.454 . . . . 73.24 111.645 -172.365 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.42 ' HB2' ' HE3' ' A' ' 23' ' ' TRP . 12.6 t 71.95 22.88 3.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.485 -0.78 . . . . 74.24 110.731 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -69.45 -27.23 65.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.658 . . . . 73.12 111.519 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.9 -39.27 77.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.943 -0.571 . . . . 60.14 111.19 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' O ' HG21 ' A' ' 31' ' ' VAL . 1.7 t-80 -76.13 -28.49 57.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 74.53 111.04 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 7.5 mmt180 -62.7 -23.6 67.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.422 -0.808 . . . . 73.02 112.245 -171.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -55.06 -47.63 74.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.721 0.296 . . . . 72.12 110.726 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -82.57 -42.08 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 73.24 110.855 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' HIS . 61.1 t -57.92 -22.25 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 115.875 -0.602 . . . . 73.21 111.775 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -50.56 -41.82 54.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.429 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.07 -48.78 79.1 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 74.4 111.298 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.99 -36.75 80.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 64.13 110.424 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 39' ' ' ILE . 1.9 tm? -67.12 -58.14 5.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.735 -0.666 . . . . 73.11 110.549 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 11.0 mm-40 -53.81 -39.54 65.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.94 0.4 . . . . 74.12 111.637 -175.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.11 -38.91 89.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.069 -0.514 . . . . 73.15 111.578 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.67 -22.06 18.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 74.52 112.493 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' A' ' 75' ' ' LEU . 8.2 tp -82.66 -30.72 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.466 -0.494 . . . . 54.32 110.28 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD2' HG22 ' A' ' 39' ' ' ILE . 8.6 m-85 -122.33 71.07 34.69 Favored Pre-proline 0 C--N 1.331 -0.209 0 N-CA-C 109.771 -0.455 . . . . 71.21 109.771 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.1 Cg_endo -81.6 -55.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.624 2.216 . . . . 60.41 112.231 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -101.91 -2.44 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.027 -0.533 . . . . 73.02 109.907 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 56' ' ' LEU . 37.1 pt -121.68 13.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.713 -0.676 . . . . 71.43 111.328 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.93 10.99 30.16 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.659 -0.781 . . . . 74.44 112.539 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -107.61 9.85 29.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.787 0.327 . . . . 65.14 111.186 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -116.67 157.29 25.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.809 0.338 . . . . 55.31 111.188 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.79 161.39 16.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 72.25 110.238 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 9' ' ' PHE . 9.4 tt -63.75 -26.66 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 74.42 111.158 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -87.12 7.69 26.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.39 -0.368 . . . . 73.01 111.117 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -141.3 71.91 1.37 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.806 0.813 . . . . 61.22 110.644 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 51' ' ' LEU . 3.2 mm? -95.37 162.07 13.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.114 -0.948 . . . . 65.04 109.643 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -123.4 176.48 6.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.541 -0.3 . . . . 73.03 111.037 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.811 HG23 ' H ' ' A' ' 54' ' ' SER . 2.1 m -72.9 -165.14 0.2 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.727 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.811 ' H ' HG23 ' A' ' 53' ' ' THR . 13.9 m -70.46 15.88 0.09 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.232 0.827 . . . . 54.44 113.232 -171.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' H ' ' C ' ' A' ' 53' ' ' THR . 59.5 m-70 -73.88 -28.44 61.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.839 -0.8 . . . . 73.14 108.839 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.544 ' HB2' HG22 ' A' ' 43' ' ' ILE . 3.3 pp -71.39 -13.69 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.933 -1.031 . . . . 74.2 111.792 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.8 tp -72.78 -17.52 61.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 71.12 111.204 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.85 -53.09 61.69 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.01 0.744 . . . . 74.25 113.01 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 25.0 Cg_endo -63.72 -28.21 68.56 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.744 1.629 . . . . 70.41 113.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.441 ' O ' HG11 ' A' ' 63' ' ' VAL . 42.8 mm -71.33 -24.78 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.728 0.775 . . . . 65.43 109.45 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 7.0 tmtm? -70.18 -24.24 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.305 -0.861 . . . . 53.11 109.73 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.14 -48.33 80.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 70.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.441 HG11 ' O ' ' A' ' 60' ' ' ILE . 9.6 p -71.74 -28.66 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.227 0.536 . . . . 71.44 110.274 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.804 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 2.9 t70 -57.24 -42.34 81.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 52.33 110.038 173.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -66.7 -24.86 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.508 -0.769 . . . . 75.42 111.824 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -72.15 -5.07 32.91 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.753 0.311 . . . . 75.51 111.626 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.62 -3.76 65.82 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.698 -0.763 . . . . 63.01 111.51 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.612 ' O ' HG21 ' A' ' 71' ' ' VAL . 9.6 mmpt? -98.88 26.21 5.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.125 -0.695 . . . . 75.12 109.125 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.804 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.1 p80 -51.15 -24.82 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.762 -1.108 . . . . 64.44 113.554 -171.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 17.1 t70 -64.86 -32.31 73.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.7 0.286 . . . . 73.43 110.979 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 68' ' ' LYS . 14.0 m -65.93 -32.78 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.557 -0.292 . . . . 72.03 110.922 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.47 82.2 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.951 0.405 . . . . 62.52 110.692 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.537 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.3 mm-40 -64.09 -44.1 93.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.746 -0.661 . . . . 72.02 110.719 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 20.8 mmt180 -60.96 -34.63 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 63.14 110.484 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.666 ' HB3' HD12 ' A' ' 39' ' ' ILE . 98.5 mt -73.51 -51.12 18.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 74.32 111.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.551 HE22 ' HB2' ' A' ' 101' ' ' ALA . 18.2 pt20 -58.66 -38.19 77.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 73.44 111.834 -175.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 27.4 mt-30 -53.28 -28.12 26.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 71.44 112.149 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.528 ' NH1' HD13 ' A' ' 35' ' ' LEU . 67.9 ttt180 -64.55 -53.89 40.84 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.935 -0.306 . . . . 74.41 110.827 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.507 ' HA ' ' HZ ' ' A' ' 9' ' ' PHE . 15.0 p -70.3 -35.46 62.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 121.004 -0.279 . . . . 72.11 110.802 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -64.18 -45.89 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.03 110.861 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.74 -50.01 54.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 64.31 111.176 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.761 HG12 ' HE1' ' A' ' 16' ' ' TRP . 61.9 mt -60.07 -40.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.356 . . . . 75.42 111.361 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.5 ttm -62.08 -29.06 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 73.32 110.95 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 27.0 mmt180 -68.73 -39.93 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.694 -0.23 . . . . 71.44 110.542 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -68.19 -34.21 75.85 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.627 -0.509 . . . . 74.41 109.627 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.651 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 75.14 111.191 177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 83' ' ' MET . 75.9 t -74.65 -34.4 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.238 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.82 -28.08 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 71.32 110.4 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -89.74 -5.78 56.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 75.13 110.314 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.382 -0.826 . . . . 62.33 112.892 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.651 ' CE2' ' HA ' ' A' ' 86' ' ' ALA . 52.8 p90 -98.35 -2.08 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.979 -0.689 . . . . 75.23 111.521 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.7 pt -114.31 -18.73 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.474 -0.33 . . . . 73.31 110.311 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 t70 71.16 -57.39 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.361 -0.836 . . . . 74.43 112.254 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.9 t -92.94 178.43 5.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.778 0.323 . . . . 70.11 110.534 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.436 ' OD1' ' HA ' ' A' ' 98' ' ' SER . 3.2 t-20 -124.75 86.58 55.79 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 116.324 -0.398 . . . . 72.3 110.047 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.94 -52.39 7.48 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.142 2.561 . . . . 72.54 113.007 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 100' ' ' MET . . . -100.71 84.61 2.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 52.41 110.379 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.436 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 14.9 t -77.67 -23.34 49.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.314 -0.857 . . . . 70.23 110.313 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -123.66 -66.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.927 -0.579 . . . . 64.41 110.064 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.623 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 58.42 86.39 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.528 -0.76 . . . . 70.34 111.386 178.285 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' HB2' HE22 ' A' ' 76' ' ' GLN . . . . . . . . 0 C--O 1.235 0.319 0 CA-C-N 115.621 -0.718 . . . . 74.22 111.644 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 121.338 0.59 . . . . 65.04 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.753 HG22 ' H ' ' A' ' 9' ' ' PHE . 1.9 m -100.99 -170.43 1.84 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.305 -0.861 . . . . 71.53 109.05 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.817 ' HA ' HD13 ' A' ' 48' ' ' ILE . 56.3 t80 -48.87 -41.77 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.797 0.439 . . . . 75.12 111.723 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -64.3 -32.22 73.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.608 0.595 . . . . 74.01 112.608 -176.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.2 m -67.46 -43.06 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 73.14 111.024 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.44 -37.21 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.067 0.461 . . . . 54.51 110.193 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -61.0 -42.58 98.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 52.42 111.895 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 14' ' ' ARG . 2.4 ptm180 -72.41 -28.48 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.828 -175.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.26 -60.16 3.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.603 -0.726 . . . . 74.3 111.688 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.41 ' HE1' HD13 ' A' ' 82' ' ' ILE . 59.4 p-90 -80.98 -23.67 38.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.514 . . . . 74.04 111.283 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.637 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 2.0 t-80 -49.54 -27.99 5.03 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.83 0.678 . . . . 72.34 112.83 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.01 -42.73 72.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.082 0.468 . . . . 75.13 110.93 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 m -70.54 -22.84 62.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 65.04 110.909 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.472 ' C ' HD21 ' A' ' 20' ' ' ASN . 0.2 OUTLIER -83.95 -80.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 72.42 109.61 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tptt 177.69 143.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 73.55 109.988 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 73.67 115.78 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.482 0.919 . . . . 63.23 113.482 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 p90 -121.84 137.15 54.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.932 -1.031 . . . . 73.41 108.268 166.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 27' ' ' HIS . 50.9 m -153.13 54.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 74.31 111.407 -174.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -58.93 -35.16 72.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.235 -0.438 . . . . 75.14 111.512 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.83 -35.9 82.59 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.17 0.51 . . . . 74.14 110.79 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 24' ' ' SER . 13.3 m170 -75.14 -28.81 60.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 70.14 110.653 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.28 -32.14 10.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.215 -0.902 . . . . 73.13 112.544 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 t -65.89 -52.27 51.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.662 0.245 . . . . 74.52 111.662 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -83.94 -33.76 24.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.243 0.46 . . . . 73.13 112.243 -177.068 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.61 -20.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.716 0.293 . . . . 75.44 111.586 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.96 -26.77 16.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.786 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -56.08 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 74.32 110.295 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -71.92 -26.56 62.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.402 -0.363 . . . . 72.35 110.574 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD11 ' HB ' ' A' ' 39' ' ' ILE . 2.6 tm? -51.77 -54.38 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.778 -0.646 . . . . 72.13 110.446 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.76 -28.69 61.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.096 0.406 . . . . 73.3 112.096 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.38 -47.43 76.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.393 . . . . 71.53 111.785 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.467 ' HD1' ' H ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -114.98 -15.11 11.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 72.03 111.712 -175.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.501 HG22 ' CD2' ' A' ' 40' ' ' PHE . 48.9 mm -115.1 114.48 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.416 -0.957 . . . . 75.13 108.416 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 69.1 m-85 71.29 54.42 0.39 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.525 -1.216 . . . . 73.51 110.756 -174.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 23.8 Cg_exo -63.57 -57.83 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.535 1.49 . . . . 73.41 111.412 -176.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 -41.03 5.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.188 0.518 . . . . 72.52 110.694 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 40' ' ' PHE . 2.4 pp -78.77 15.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.047 0.758 . . . . 71.42 113.047 -172.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.567 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -66.18 -11.63 55.95 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.868 -0.682 . . . . 62.01 113.15 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 m -96.5 15.02 22.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.31 . . . . 65.1 111.136 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.532 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 18.9 m -107.99 140.74 40.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 74.31 111.35 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 9.0 t0 -74.09 148.41 41.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 75.23 109.644 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.817 HD13 ' HA ' ' A' ' 9' ' ' PHE . 11.7 tt -71.6 -28.09 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.014 0.435 . . . . 75.43 111.127 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 23.9 ptt180 -76.23 -21.52 56.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.457 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -132.15 77.38 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.525 0.678 . . . . 73.44 109.986 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tp -88.99 162.69 15.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.083 -0.962 . . . . 73.34 109.191 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.532 ' HE2' ' OG ' ' A' ' 46' ' ' SER . 3.6 mptp? -79.84 174.8 11.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 74.25 110.613 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.769 HG23 ' H ' ' A' ' 54' ' ' SER . 1.8 m -82.93 -162.6 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 73.2 108.733 173.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.769 ' H ' HG23 ' A' ' 53' ' ' THR . 3.0 m -49.56 -18.01 0.38 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.155 0.798 . . . . 75.54 113.155 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -55.77 -29.55 59.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.548 0.339 . . . . 73.52 111.256 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -65.07 -15.3 62.21 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.262 -0.426 . . . . 74.35 111.782 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.79 -14.81 59.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.333 . . . . 71.25 111.243 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -53.15 -52.61 64.15 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.887 0.699 . . . . 71.44 112.887 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 22.6 Cg_endo -63.11 -27.58 73.42 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 61.45 112.931 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.584 ' HA ' HG23 ' A' ' 63' ' ' VAL . 2.6 mp -69.08 -25.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.271 -0.64 . . . . 75.24 109.271 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 45.9 mmtt -70.54 -32.14 69.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.33 0.586 . . . . 74.43 110.484 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' OE1' ' HA ' ' A' ' 59' ' ' PRO . 37.5 mt-10 -67.74 -41.27 83.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.828 -0.624 . . . . 72.14 110.155 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 60' ' ' ILE . 33.5 m -77.82 -29.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 63.04 111.787 -178.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -42.19 64.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.615 -0.513 . . . . 71.31 109.615 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -66.84 -16.37 64.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.407 0.622 . . . . 62.52 110.22 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -81.71 4.5 21.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 72.53 110.995 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.45 2.54 27.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.316 -0.945 . . . . 74.14 113.003 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.737 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -104.98 65.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.243 0.544 . . . . 72.43 110.645 178.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -70.92 -49.71 42.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 74.34 111.031 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 3.8 m-20 -66.53 -40.94 89.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.029 0.442 . . . . 73.35 110.033 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.737 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 59.4 t -56.73 -43.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.29 -0.868 . . . . 74.4 111.554 -176.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -53.44 -57.17 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.313 . . . . 72.13 111.626 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -60.35 -48.05 83.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 73.11 111.179 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 42.7 mtp180 -60.23 -34.95 74.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 75.0 111.288 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 38' ' ' TYR . 6.3 mp -73.23 -48.74 32.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.814 -0.176 . . . . 73.42 111.344 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.514 ' HA ' HG12 ' A' ' 79' ' ' VAL . 17.0 pt20 -64.39 -35.35 80.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 75.23 111.202 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.13 -33.11 70.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.683 -0.69 . . . . 62.15 110.792 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.76 -40.1 19.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 75.22 112.09 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 76' ' ' GLN . 12.3 p -64.13 -34.11 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.893 0.331 . . . . 72.53 111.893 -174.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.8 t -71.0 -30.61 66.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.976 0.417 . . . . 62.42 110.401 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.77 71.86 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.256 -0.429 . . . . 37.18 110.418 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 9' ' ' PHE . 27.6 mm -59.73 -53.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.521 0.677 . . . . 63.43 110.119 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.626 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 49.8 ttm -63.18 -39.75 95.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.852 -1.067 . . . . 73.44 110.791 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -64.36 -36.71 85.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 62.33 111.148 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.059 0.457 . . . . 75.21 109.872 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.35 83.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 74.24 111.272 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 83' ' ' MET . 44.9 t -74.94 -33.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 62.21 110.633 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -60.89 -41.3 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.049 -0.723 . . . . 72.3 109.049 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -15.27 60.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.492 -0.776 . . . . 62.02 111.036 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 t70 64.25 29.83 13.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.058 0.932 . . . . 71.32 109.419 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -81.34 -32.68 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.988 -1.005 . . . . 74.54 110.712 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.71 -171.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 72.53 110.119 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -98.26 -43.14 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.291 0.478 . . . . 70.53 112.291 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -151.81 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.771 0.319 . . . . 70.31 111.021 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 1.029 ' HB3' ' HB2' ' A' ' 98' ' ' SER . 14.4 m120 -116.09 85.84 15.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 73.33 111.024 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.626 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 23.6 Cg_exo -64.85 -39.96 23.48 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.516 2.144 . . . . 44.4 112.302 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.406 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . -116.39 43.9 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.093 0.473 . . . . 72.21 111.034 -177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 1.029 ' HB2' ' HB3' ' A' ' 95' ' ' ASN . 8.2 t -76.49 -46.95 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.352 -0.611 . . . . 75.22 109.352 177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -111.49 88.0 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 52.51 109.821 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.406 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.1 ppp? -135.36 -15.44 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 74.32 111.024 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 62.14 111.438 -176.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.231 0.539 . . . . 74.41 110.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.566 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 18.9 m -119.87 150.23 40.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.628 -0.715 . . . . 74.52 110.427 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.66 ' HA ' HD11 ' A' ' 48' ' ' ILE . 37.5 t80 -50.75 -50.68 55.15 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.666 0.604 . . . . 74.13 111.515 -178.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -73.75 -31.87 63.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 63.32 111.631 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.566 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 16.1 m -65.17 -39.68 93.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.298 -0.41 . . . . 75.32 111.133 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.48 HD11 HD13 ' A' ' 48' ' ' ILE . 50.3 mt -72.37 -28.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.944 0.402 . . . . 71.41 110.433 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.25 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 74.1 111.844 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 15.1 ptm180 -76.85 -32.89 57.84 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.763 -0.375 . . . . 73.34 110.877 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -54.91 -53.35 56.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.728 -0.669 . . . . 73.31 111.92 -172.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -79.41 -26.19 41.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.47 -0.492 . . . . 74.24 111.346 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -75.08 -24.67 58.2 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.324 0.49 . . . . 71.33 112.324 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 37.0 mt-10 -63.83 4.45 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.716 1.006 . . . . 72.24 113.716 -174.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -74.0 -7.34 52.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.448 0.642 . . . . 72.31 109.474 168.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 70.53 91.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.586 -1.188 . . . . 75.3 112.044 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 58.9 mmtt -113.44 92.62 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.166 -0.924 . . . . 73.45 109.569 168.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.66 -73.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.459 -1.246 . . . . 54.31 112.134 -178.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -64.14 127.1 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 73.52 111.57 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.8 m -86.7 164.7 16.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.635 . . . . 73.41 110.578 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -33.38 74.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.669 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -56.01 -50.6 70.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 73.05 110.781 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -73.89 -27.74 61.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.698 -0.683 . . . . 73.42 110.705 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' NH1' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.06 -41.86 68.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.002 0.429 . . . . 75.51 110.11 175.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -75.81 -41.67 52.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 72.03 110.689 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -57.03 -51.67 68.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.505 . . . . 65.42 111.402 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.22 -14.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 74.41 112.165 -173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD12 ' NH1' ' A' ' 28' ' ' ARG . 52.6 tp -50.54 -37.45 39.44 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.823 0.675 . . . . 75.52 112.823 -172.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -61.5 -50.57 72.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.243 0.544 . . . . 73.03 110.176 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -70.98 -28.79 64.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 74.21 110.427 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.33 -51.74 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 72.43 110.582 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.3 pt-20 -72.75 -30.68 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.378 -0.529 . . . . 63.52 110.803 -177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.08 -23.77 63.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 74.42 111.013 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -100.56 -44.86 5.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 72.21 111.085 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.608 HD11 HD11 ' A' ' 75' ' ' LEU . 69.2 mt -96.69 -29.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.129 0.418 . . . . 74.51 112.129 -173.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.481 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 93.8 m-85 -120.27 68.53 13.93 Favored Pre-proline 0 CA--C 1.534 0.33 0 O-C-N 122.024 -0.423 . . . . 73.54 111.841 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 3.2 Cg_exo -74.94 -57.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.628 1.552 . . . . 75.33 111.663 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -105.49 -28.19 10.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.524 . . . . 65.04 110.953 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.2 pt -87.04 8.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 112.523 0.564 . . . . 74.12 112.523 -168.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -81.49 -5.21 90.12 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.691 -0.766 . . . . 70.01 111.989 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 p -85.59 -11.74 53.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.405 . . . . 65.51 110.666 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -69.19 140.93 54.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.842 -0.617 . . . . 71.3 110.826 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -96.5 150.14 20.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 9' ' ' PHE . 16.3 tt -67.48 -19.56 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.006 0.432 . . . . 64.53 111.234 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.64 -31.84 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.974 0.416 . . . . 75.44 110.416 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.25 89.44 2.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.413 -0.588 . . . . 74.41 109.413 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.74 161.54 13.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.918 -0.583 . . . . 63.02 109.629 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -105.93 172.47 6.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.106 0.479 . . . . 72.42 111.577 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.601 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -87.01 -160.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 74.13 111.653 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.502 ' H ' ' HB ' ' A' ' 53' ' ' THR . 4.6 m -59.11 5.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.213 1.19 . . . . 75.32 114.213 -172.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' THR . 61.8 m-70 -69.33 -29.58 67.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.415 0.626 . . . . 74.14 109.601 175.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 53' ' ' THR . 3.2 pp -77.14 -12.5 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.446 -0.797 . . . . 71.23 111.248 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB2' ' HG2' ' A' ' 100' ' ' MET . 61.0 tp -70.47 -26.48 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.44 111.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.65 -50.94 84.11 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.041 0.386 . . . . 74.41 112.041 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.4 Cg_exo -50.15 -47.66 23.05 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.675 2.25 . . . . 74.33 113.574 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.402 HG22 ' HB3' ' A' ' 76' ' ' GLN . 47.5 mm -63.68 -33.49 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.624 0.726 . . . . 74.21 110.101 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 57.9 mmtt -69.98 -23.41 63.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.26 -0.882 . . . . 75.21 111.906 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' OE2' ' HA ' ' A' ' 59' ' ' PRO . 55.0 mt-10 -54.24 -38.91 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.177 0.513 . . . . 72.1 110.044 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.74 -48.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 73.04 110.247 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.26 -37.31 62.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.075 -0.966 . . . . 74.1 111.337 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.3 m -63.98 -38.42 91.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.986 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 -41.7 72.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.604 0.716 . . . . 74.0 109.397 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 -146.31 14.29 Favored Glycine 0 N--CA 1.43 -1.728 0 N-CA-C 108.852 -1.699 . . . . 64.44 108.852 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 54.03 30.8 12.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.211 0.529 . . . . 73.02 111.018 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -61.42 -33.71 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.305 -0.861 . . . . 75.0 111.59 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.98 -53.16 22.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.768 0.318 . . . . 72.12 110.835 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.36 -34.48 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.099 -0.5 . . . . 71.04 110.771 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.44 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.665 0.269 . . . . 75.2 110.705 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -62.0 -43.64 98.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.163 0.506 . . . . 61.44 111.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 20.1 tpt180 -64.57 -38.49 91.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.112 -0.495 . . . . 64.34 111.1 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.608 HD11 HD11 ' A' ' 39' ' ' ILE . 3.3 mm? -73.7 -43.95 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.206 0.447 . . . . 74.24 112.206 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.898 ' HB2' ' HE3' ' A' ' 100' ' ' MET . 16.7 pt20 -56.67 -34.48 67.42 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 74.4 110.966 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -52.78 -23.77 7.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.984 -1.007 . . . . 73.13 112.45 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.454 ' O ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -60.2 -34.07 73.12 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.114 0.483 . . . . 54.1 110.405 179.374 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.86 -40.19 78.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 74.11 109.773 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -66.85 -34.51 77.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.573 -0.739 . . . . 70.53 110.674 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 74.35 110.602 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 78' ' ' ARG . 46.8 mm -61.67 -41.96 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 61.35 110.294 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.893 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 4.7 mmt -57.94 -33.02 68.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 73.44 111.483 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -60.95 -58.88 6.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.995 -0.372 . . . . 72.35 109.995 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.74 -34.76 78.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 75.45 110.505 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 64.43 111.553 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 95' ' ' ASN . 61.2 t -72.05 -32.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.359 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -66.14 -24.42 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.769 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.427 ' HB3' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -76.34 -3.7 38.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.635 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 66.01 25.99 10.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.385 0.883 . . . . 74.22 113.385 170.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.462 ' HD1' HG23 ' A' ' 92' ' ' ILE . 31.8 p90 -103.93 -10.14 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.655 -0.818 . . . . 74.24 111.345 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.462 HG23 ' HD1' ' A' ' 91' ' ' TYR . 17.8 pt -140.51 142.47 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 45.44 110.552 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.35 87.24 2.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.081 0.467 . . . . 72.21 110.676 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.0 m -161.4 -52.0 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.465 -0.789 . . . . 74.03 109.966 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.506 ' HA ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER 60.6 79.28 0.29 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.398 -0.819 . . . . 74.14 110.86 -176.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.62 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 5.6 Cg_exo -78.91 -167.41 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.066 2.51 . . . . 52.05 111.394 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.13 6.82 3.72 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.711 -0.677 . . . . 74.42 111.959 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 p -66.26 -41.41 89.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.069 0.462 . . . . 73.53 111.024 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -90.57 -7.57 52.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 75.14 110.094 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.898 ' HE3' ' HB2' ' A' ' 76' ' ' GLN . 1.7 tmt? -73.38 -51.43 17.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 61.43 110.02 -177.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.971 -0.559 . . . . 52.31 109.558 174.585 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 121.58 0.705 . . . . 74.43 110.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 m -103.99 143.08 33.35 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.675 -0.693 . . . . 72.31 110.285 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.821 ' HA ' HD13 ' A' ' 48' ' ' ILE . 54.1 t80 -58.8 -37.7 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 72.0 110.602 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 27.9 tt0 -66.22 -46.22 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 74.34 111.826 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -62.04 -39.6 92.9 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.417 0.525 . . . . 71.43 112.417 -173.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.633 HD13 HD12 ' A' ' 48' ' ' ILE . 59.6 mt -74.17 -36.0 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.869 0.366 . . . . 74.15 110.448 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.18 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.947 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.3 mtt180 -55.87 -46.49 78.26 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.091 -0.504 . . . . 75.25 111.218 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -58.25 8.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 64.3 112.082 -165.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -75.24 -33.92 61.36 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.312 -0.404 . . . . 74.01 111.427 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -72.45 -27.98 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.988 0.366 . . . . 71.24 111.988 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.1 mt-10 -68.1 1.0 3.06 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.021 0.378 . . . . 75.04 112.021 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -67.22 -24.15 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 71.52 109.234 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.68 90.1 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.089 -0.96 . . . . 64.24 108.786 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -156.17 145.43 20.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 75.45 111.191 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -163.15 81.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.035 -0.53 . . . . 75.2 110.117 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 44.82 57.18 4.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.411 -0.813 . . . . 75.22 112.591 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -115.22 17.76 16.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.402 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.1 tp10 -69.55 -40.18 76.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.773 -0.649 . . . . 74.13 111.87 -172.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.12 -50.09 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.849 0.315 . . . . 65.0 111.849 -172.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -74.8 -26.86 60.03 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.487 -0.485 . . . . 72.21 111.555 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.765 ' HA ' HG13 ' A' ' 31' ' ' VAL . 3.7 ppt_? -72.61 -24.29 61.05 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.541 -0.464 . . . . 75.23 110.42 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.0 m -70.23 -28.07 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 36.7 110.625 175.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 30' ' ' ARG . 32.0 mtt180 -82.13 -48.86 10.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.371 0.605 . . . . 64.34 109.996 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.765 HG13 ' HA ' ' A' ' 28' ' ' ARG . 8.9 p -67.95 -13.08 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.361 -0.836 . . . . 74.23 111.155 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 36.9 tp -50.65 -32.56 19.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.098 -0.501 . . . . 55.44 111.462 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -55.83 -43.68 77.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.166 0.508 . . . . 65.23 110.802 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -68.59 -40.44 80.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.555 -0.748 . . . . 74.43 110.14 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.91 -51.45 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 73.35 110.255 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 49.2 mt-10 -59.32 -41.97 90.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 75.1 111.444 -178.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 tp -70.83 -36.66 73.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.479 . . . . 70.23 112.281 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -96.39 -26.88 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.412 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 49.0 mm -92.25 -31.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.737 -0.385 . . . . 71.31 111.081 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -128.9 61.99 59.31 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 72.12 111.18 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.9 Cg_endo -80.22 -58.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.948 1.765 . . . . 73.21 112.506 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -107.83 -2.85 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 75.33 110.585 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.47 HG21 ' HG2' ' A' ' 59' ' ' PRO . 27.0 pt -123.6 13.45 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.982 0.734 . . . . 60.41 112.982 -166.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.4 -9.24 72.83 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.672 -0.775 . . . . 53.45 113.404 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 p -90.67 8.64 33.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.766 -0.255 . . . . 71.05 111.683 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -93.47 151.47 19.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.722 0.296 . . . . 62.13 111.542 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.643 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 17.5 t70 -87.96 160.73 17.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 74.04 109.999 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.821 HD13 ' HA ' ' A' ' 9' ' ' PHE . 15.3 tt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 112.466 0.543 . . . . 74.45 112.466 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.643 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 35.5 ptt-85 -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.149 -0.62 . . . . 73.1 111.016 -175.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -146.23 80.05 1.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.525 0.679 . . . . 74.42 109.216 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.38 150.91 33.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.24 -0.891 . . . . 74.4 109.681 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -97.56 175.3 6.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.898 0.38 . . . . 73.52 111.541 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -163.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 62.11 112.287 -176.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 6.9 m -65.56 4.7 0.52 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.599 -0.728 . . . . 73.32 112.517 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -63.6 -28.02 69.64 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 108.244 -1.021 . . . . 74.31 108.244 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.09 -17.34 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.255 -1.339 . . . . 75.44 110.979 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.479 ' HG ' ' HD3' ' A' ' 61' ' ' LYS . 50.7 tp -80.38 -22.67 41.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 72.11 112.065 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB1' ' HD3' ' A' ' 59' ' ' PRO . . . -49.91 -51.64 59.22 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.008 0.744 . . . . 71.13 113.008 -175.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.617 ' HD3' ' HB1' ' A' ' 58' ' ' ALA . 47.4 Cg_exo -59.4 -38.47 83.86 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.101 1.867 . . . . 74.41 113.086 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.634 HG21 HE21 ' A' ' 76' ' ' GLN . 3.0 mp -66.09 -28.0 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 74.33 110.158 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.616 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 2.3 mmmp? -69.37 -29.52 67.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.899 0.857 . . . . 43.33 109.698 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.13 -29.51 65.34 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.395 -1.275 . . . . 74.03 109.88 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.99 -47.07 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 72.11 111.111 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.746 ' HB2' ' HA ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -63.71 -35.16 79.64 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.498 -0.319 . . . . 72.1 110.862 -176.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.9 m -63.5 -21.62 66.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.031 0.443 . . . . 73.43 111.221 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 m -76.21 -9.55 58.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.424 -0.353 . . . . 73.45 111.054 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.14 -45.36 1.08 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.454 -0.879 . . . . 44.45 113.023 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.68 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -81.86 78.97 8.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.644 0.735 . . . . 72.44 111.457 -176.406 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.746 ' HA ' ' HB2' ' A' ' 64' ' ' ASP . 33.5 t-80 -73.48 -48.98 29.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.701 -1.136 . . . . 74.01 111.377 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.11 -45.25 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 64.3 112.584 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.68 HG11 ' HB3' ' A' ' 68' ' ' LYS . 9.8 p -60.36 -33.91 55.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.694 0.283 . . . . 74.35 110.672 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.61 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.974 0.416 . . . . 51.14 110.352 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -65.51 -44.72 86.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 64.04 111.056 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.66 -39.35 91.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 70.32 110.481 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 71' ' ' VAL . 7.2 mp -74.1 -46.31 43.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 74.3 112.199 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.634 HE21 HG21 ' A' ' 60' ' ' ILE . 3.0 pt20 -61.25 -36.16 79.22 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.022 0.379 . . . . 74.41 112.022 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -20.3 2.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.662 -0.699 . . . . 75.34 112.459 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.8 ptp180 -58.04 -33.01 68.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.788 0.292 . . . . 72.22 111.788 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 76' ' ' GLN . 35.3 m -59.89 -35.74 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 53.44 111.48 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -69.28 -37.41 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.46 . . . . 74.32 110.198 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.32 79.83 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.894 -0.594 . . . . 72.2 110.411 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 78' ' ' ARG . 42.8 mm -58.54 -50.48 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.99 -0.55 . . . . 74.21 110.095 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.731 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 24.0 mmt -60.08 -39.09 84.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 75.13 111.134 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -61.17 -46.53 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 75.22 110.956 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -73.17 -41.03 64.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.907 0.384 . . . . 70.12 110.802 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.511 ' HB3' HG21 ' A' ' 92' ' ' ILE . . . -62.71 -38.22 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 62.32 111.718 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.524 ' HB ' HD12 ' A' ' 92' ' ' ILE . 5.5 p -72.14 -31.78 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.21 0.528 . . . . 75.41 110.0 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.11 69.72 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.254 -0.884 . . . . 74.41 110.216 -176.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -98.38 12.9 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.438 -0.801 . . . . 64.23 110.757 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 62.22 30.22 17.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.431 0.53 . . . . 74.43 112.431 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -86.57 -49.02 7.85 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.766 -0.374 . . . . 74.51 111.816 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.581 HG22 ' HA ' ' A' ' 49' ' ' ARG . 39.1 pt -88.29 163.85 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 64.44 112.206 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.79 -59.01 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 63.52 111.007 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.436 ' O ' HD11 ' A' ' 92' ' ' ILE . 1.7 p -131.84 173.67 10.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 51.42 110.77 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.51 88.16 7.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 75.31 111.558 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 94.9 Cg_endo -87.27 -171.34 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.775 2.317 . . . . 71.23 111.397 174.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.668 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 70.79 -2.44 2.28 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.475 0.546 . . . . 70.31 112.475 175.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 53.11 110.616 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.09 15.02 10.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.878 0.847 . . . . 72.2 109.027 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.668 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 23.8 ttt -71.11 -31.62 68.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.275 -0.875 . . . . 72.34 110.657 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.827 -0.624 . . . . 72.11 110.055 178.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.122 0.487 . . . . 72.02 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.689 ' HB ' ' OE1' ' A' ' 10' ' ' GLU . 1.2 m -115.55 -177.03 3.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.764 -0.653 . . . . 70.24 110.064 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.672 ' H ' HG21 ' A' ' 8' ' ' THR . 72.0 t80 -55.49 -42.54 74.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.676 0.39 . . . . 75.21 111.613 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.689 ' OE1' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -72.26 -31.75 66.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 71.14 111.99 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 72.02 110.902 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.48 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 71.14 110.392 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.55 86.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.564 -0.744 . . . . 63.03 111.288 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.341 . . . . 64.41 111.74 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.32 -56.57 15.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.075 -0.512 . . . . 52.13 111.395 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.523 ' HE1' ' HA ' ' A' ' 82' ' ' ILE . 66.2 p-90 -79.55 -32.05 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.729 -0.389 . . . . 75.24 110.854 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -61.52 -35.47 77.8 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.662 0.616 . . . . 71.14 112.662 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.28 -17.2 62.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.05 0.389 . . . . 75.32 112.05 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.5 m -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.281 0.562 . . . . 74.31 110.122 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -113.68 76.41 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.263 -1.014 . . . . 71.04 108.263 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 2.0 tmtp? -98.84 140.19 33.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.54 -0.754 . . . . 72.14 110.844 -170.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 27.0 ttm180 -98.34 160.38 14.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.847 -0.427 . . . . 65.44 109.847 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -43.31 -73.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.058 1.133 . . . . 73.12 114.058 -167.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.2 p -99.71 115.3 29.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 71.42 112.033 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -26.65 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 74.1 111.276 177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.53 -36.16 83.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.439 . . . . 72.02 110.847 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -74.21 -28.28 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 72.24 110.14 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 24' ' ' SER . 16.3 mmp_? -66.79 -31.39 71.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.089 -0.505 . . . . 71.22 109.668 174.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -62.06 -33.97 75.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.052 -0.522 . . . . 62.42 110.829 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -69.36 -37.23 77.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.957 -0.757 . . . . 72.31 108.957 176.467 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 t -69.89 -21.87 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 73.42 110.321 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.91 -39.24 88.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.237 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -71.38 -40.56 70.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 74.21 110.734 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.58 -43.92 80.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.135 -0.484 . . . . 74.25 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 39' ' ' ILE . 51.8 tp -63.77 -50.62 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 64.51 110.468 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -51.73 -49.47 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 75.42 111.961 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.67 -17.73 64.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.47 0.545 . . . . 73.21 112.47 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -111.07 -23.86 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.075 0.768 . . . . 75.21 113.075 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.502 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 11.2 tp -92.92 -19.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.628 -0.429 . . . . 75.3 110.089 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.829 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 40.8 m-85 -124.11 53.98 7.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 111.899 0.333 . . . . 74.33 111.899 176.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 56.3 Cg_endo -98.85 -59.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.834 1.689 . . . . 63.55 112.983 176.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -106.19 -41.36 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.23 0.538 . . . . 74.35 110.312 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 HG22 ' HB2' ' A' ' 56' ' ' LEU . 36.9 pt -91.86 -10.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.518 -0.765 . . . . 73.52 111.444 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.829 ' HA3' ' HA ' ' A' ' 40' ' ' PHE . . . -87.0 21.52 19.53 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.705 -0.76 . . . . 71.12 113.071 -174.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 p -89.05 0.12 56.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.268 0.556 . . . . 75.11 110.507 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 m -114.12 172.91 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 72.53 110.612 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.1 158.62 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.402 -0.592 . . . . 63.12 109.402 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.89 -25.38 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 120.947 0.403 . . . . 74.01 110.837 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 41.6 ttp-105 -72.69 -20.84 61.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.323 -0.398 . . . . 74.33 110.908 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -133.78 72.08 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.279 0.561 . . . . 71.22 110.015 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -97.42 149.96 21.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.659 -0.7 . . . . 70.33 110.346 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 3.5 mptp? -94.63 170.57 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.584 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.867 ' HA ' ' HB2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -79.38 -163.11 0.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 62.11 111.034 -178.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.627 ' H ' HG21 ' A' ' 53' ' ' THR . 16.3 m -62.01 3.49 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.815 0.672 . . . . 65.42 112.815 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -59.34 -31.65 69.38 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.466 -0.568 . . . . 73.24 109.466 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 pp -75.25 -14.91 60.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.433 -0.803 . . . . 73.04 111.31 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.78 -24.48 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 74.43 110.933 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.686 ' HB1' ' HD3' ' A' ' 59' ' ' PRO . . . -64.11 -52.95 51.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.546 -0.297 . . . . 73.32 111.271 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.686 ' HD3' ' HB1' ' A' ' 58' ' ' ALA . 89.0 Cg_exo -53.81 -35.29 78.64 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.268 1.979 . . . . 74.31 112.969 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 72' ' ' ALA . 50.8 mm -69.27 -32.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 73.04 109.64 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 18.0 tptp -70.79 -25.27 62.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.481 -0.781 . . . . 72.5 109.543 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 59' ' ' PRO . 34.4 tt0 -62.13 -37.61 85.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.125 -0.943 . . . . 72.54 109.743 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.95 -36.83 65.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.161 0.505 . . . . 75.25 109.773 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.54 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 2.3 t70 -53.84 -51.09 64.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 74.23 109.68 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -60.56 -29.72 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.298 -0.865 . . . . 70.21 111.571 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -69.89 -16.87 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.378 . . . . 72.4 110.984 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.5 -15.98 10.58 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.983 -0.627 . . . . 74.42 112.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.914 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.1 mmpt? -94.81 46.52 1.13 Allowed 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.679 0.752 . . . . 54.35 111.571 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.549 -1.205 . . . . 72.05 110.919 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -74.33 -44.05 54.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 75.43 109.976 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.34 -37.86 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 70.42 110.571 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' ' 60' ' ' ILE . . . -53.29 -51.42 62.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 65.53 111.388 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.592 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 tt0 -61.87 -45.9 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.412 0.625 . . . . 64.2 111.216 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 8.4 tpt180 -56.37 -32.49 64.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.987 -1.006 . . . . 75.24 111.107 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.15 -49.81 22.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.354 -0.385 . . . . 55.33 111.387 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.592 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.6 pt20 -65.62 -41.0 93.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.74 0.305 . . . . 74.33 111.801 -175.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.34 -19.97 65.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 61.11 110.558 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' O ' HG13 ' A' ' 82' ' ' ILE . 20.9 ttm180 -80.81 -49.67 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.904 -0.589 . . . . 64.44 110.707 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.82 -32.45 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.403 . . . . 73.13 111.098 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.5 ' HA ' ' HB3' ' A' ' 97' ' ' ALA . 19.0 p -65.34 -32.41 74.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.799 0.333 . . . . 74.2 110.887 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.4 -38.07 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.03 110.526 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.523 ' HA ' ' HE1' ' A' ' 16' ' ' TRP . 83.3 mt -60.76 -51.54 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 74.24 110.58 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 ttt -70.97 -25.1 62.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 62.41 110.492 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 80' ' ' THR . 15.0 tpp85 -59.74 -46.08 90.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 74.4 110.364 178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -68.71 -30.07 68.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.355 0.598 . . . . 72.31 109.769 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.989 ' HB2' ' HE1' ' A' ' 91' ' ' TYR . . . -65.76 -22.92 66.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 74.02 111.335 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' MET . 46.8 t -72.54 -23.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.468 . . . . 64.41 110.294 176.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.5 tp60 -67.95 -36.57 80.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 61.23 111.265 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.17 -7.9 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 75.2 110.492 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 57.02 64.94 1.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.551 -0.75 . . . . 73.44 112.768 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.989 ' HE1' ' HB2' ' A' ' 86' ' ' ALA . 7.5 p90 -111.06 0.34 16.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.398 0.618 . . . . 73.32 109.661 169.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.6 pt -130.42 143.61 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.433 -0.803 . . . . 72.13 110.614 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.51 25.35 8.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.952 0.406 . . . . 72.54 110.833 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.4 m -132.46 -60.82 0.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 74.15 110.904 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 55.2 78.48 0.38 Allowed Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 115.887 -0.597 . . . . 75.24 111.171 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.867 ' HB2' ' HA ' ' A' ' 53' ' ' THR . 72.5 Cg_endo -76.17 -17.26 17.2 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.706 2.271 . . . . 53.13 112.483 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 80' ' ' THR . . . -82.46 79.49 8.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.311 0.577 . . . . 53.53 110.806 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 m -140.21 -64.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.961 -0.563 . . . . 74.05 111.314 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 46.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.767 0.317 . . . . 73.14 111.233 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mtp -90.47 -41.13 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 72.33 110.966 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.263 -0.426 . . . . 54.42 110.511 176.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.9 p90 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.908 -0.404 . . . . 74.22 109.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 11' ' ' THR . 24.3 m -58.35 142.23 48.79 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.4 -0.818 . . . . 71.13 111.529 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.678 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 36.7 t80 -48.34 -37.52 16.84 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.7 -0.682 . . . . 73.32 112.234 -177.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.841 0.682 . . . . 54.43 112.841 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 8' ' ' THR . 13.4 t -70.63 -30.66 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.818 -0.353 . . . . 63.1 111.113 -173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.76 -44.21 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.689 -0.486 . . . . 72.51 109.689 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.75 81.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.837 -0.619 . . . . 65.04 111.022 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.66 -45.06 93.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 53.42 110.959 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.36 -54.36 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.547 -0.751 . . . . 74.34 112.372 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.593 ' HE1' HG12 ' A' ' 82' ' ' ILE . 69.5 p-90 -79.47 -38.15 35.22 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.646 -0.422 . . . . 75.52 111.637 -176.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -65.2 -24.9 67.49 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.975 0.361 . . . . 71.44 111.975 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -53.82 -14.71 1.03 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.852 0.686 . . . . 70.03 112.852 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -38.75 88.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 64.5 110.477 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -131.71 84.67 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.121 0.962 . . . . 65.52 110.47 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.59 159.16 20.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 74.21 110.471 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HD2' ' O ' ' A' ' 23' ' ' TRP . 7.7 tmm_? -115.41 138.94 50.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.894 -0.78 . . . . 73.51 108.894 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.467 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 5.6 m-90 -76.0 176.61 7.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 73.55 111.749 -172.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 46.6 m 65.56 46.4 2.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.638 -0.71 . . . . 72.31 110.04 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.93 -21.5 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.366 -0.834 . . . . 73.22 111.632 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.65 -30.65 14.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.507 0.67 . . . . 75.02 110.407 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 32.8 m-70 -65.77 -21.61 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.995 -1.002 . . . . 73.34 112.089 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -34.77 2.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.561 0.744 . . . . 75.33 111.607 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -54.5 -46.46 73.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.951 0.405 . . . . 71.34 110.966 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.509 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 5.3 mpt_? -81.7 -34.75 30.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 74.51 110.565 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.38 -33.45 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.059 -0.519 . . . . 65.45 110.615 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 64.7 tp -56.65 -41.15 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.654 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.81 -35.4 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 75.41 110.781 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.58 -34.54 67.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.093 0.473 . . . . 75.03 110.105 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.624 HD12 HD11 ' A' ' 39' ' ' ILE . 46.9 tp -60.53 -52.71 64.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.6 -0.727 . . . . 75.51 110.863 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.7 pt-20 -70.07 -28.88 65.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 64.3 112.134 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.7 mt -84.09 -34.04 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.098 0.407 . . . . 72.31 112.098 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -101.82 -45.92 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.103 0.408 . . . . 72.51 112.103 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.624 HD11 HD12 ' A' ' 35' ' ' LEU . 57.2 mt -94.57 -33.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 75.11 111.545 -173.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.453 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 89.1 m-85 -122.0 54.26 5.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 121.118 -0.233 . . . . 73.34 111.309 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.21 -56.27 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.953 1.769 . . . . 61.52 112.978 -170.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -105.0 -2.65 24.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 64.33 111.132 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.814 HG22 ' HB2' ' A' ' 56' ' ' LEU . 37.3 pt -119.6 12.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.284 -0.416 . . . . 63.43 111.672 -173.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -67.14 -14.17 63.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.048 -0.596 . . . . 74.23 112.858 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p -89.38 -0.79 57.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.847 0.356 . . . . 74.12 111.098 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -108.57 105.59 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 74.02 111.044 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.93 164.94 20.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 42.42 110.232 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.678 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 16.5 tt -73.28 -10.7 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.403 -0.362 . . . . 64.2 111.685 -173.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -51.27 -44.34 61.78 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.412 -0.588 . . . . 74.2 109.412 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.12 82.66 1.96 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.67 -0.863 . . . . 72.51 108.67 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -85.86 128.1 34.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.501 -0.772 . . . . 73.05 108.996 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -90.0 169.52 11.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.074 -0.512 . . . . 73.21 111.683 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -73.81 -162.31 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.553 -0.749 . . . . 74.33 111.912 -178.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 13.8 m -64.22 16.73 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.697 0.999 . . . . 73.11 113.697 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' H ' ' C ' ' A' ' 53' ' ' THR . 35.3 m-70 -73.07 -31.11 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.23 -0.656 . . . . 73.23 109.23 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.814 ' HB2' HG22 ' A' ' 43' ' ' ILE . 4.6 pp -77.11 -14.64 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.456 -0.793 . . . . 75.13 110.518 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.568 HD11 HE22 ' A' ' 76' ' ' GLN . 2.0 tt -66.91 -28.97 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 71.22 111.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.737 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.43 -56.52 21.71 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.318 0.488 . . . . 75.24 112.318 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.737 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -60.94 -27.18 84.39 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.066 1.844 . . . . 54.02 113.2 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 63' ' ' VAL . 43.6 mm -71.49 -24.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.449 0.643 . . . . 54.22 110.114 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 9.4 tmtt? -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.573 -0.74 . . . . 64.0 110.352 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -69.17 -46.74 66.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.437 -0.347 . . . . 64.21 110.969 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 60' ' ' ILE . 11.4 p -70.16 -28.27 35.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 65.34 110.051 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 3.3 t70 -58.16 -57.61 12.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.658 -0.701 . . . . 74.2 110.703 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -72.79 -19.25 61.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 62.55 111.015 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -66.94 -15.71 63.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.875 -0.602 . . . . 74.51 111.143 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.53 -16.6 5.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.565 -0.826 . . . . 50.22 113.004 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.8 mmpt? -97.81 30.69 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.241 0.543 . . . . 75.23 110.194 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.6 p80 -48.41 -48.04 37.34 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.637 -1.165 . . . . 71.33 112.749 -176.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -72.56 -35.46 67.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 73.44 110.853 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 40.9 t -68.51 -41.97 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.331 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.09 91.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.618 . . . . 73.34 110.958 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.405 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.7 mm-40 -59.62 -45.03 93.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.232 -0.44 . . . . 63.03 111.093 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -58.23 -32.9 68.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.724 -0.671 . . . . 71.54 111.367 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 79' ' ' VAL . 95.3 mt -65.9 -43.5 88.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.63 -0.259 . . . . 75.13 110.448 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.568 HE22 HD11 ' A' ' 57' ' ' LEU . 2.7 mt-30 -61.8 -46.56 89.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.576 0.703 . . . . 75.41 109.697 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -20.39 65.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.283 -1.326 . . . . 74.01 111.589 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.541 ' O ' HG13 ' A' ' 82' ' ' ILE . 98.6 mtt180 -83.09 -41.55 18.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.601 -0.272 . . . . 74.44 110.3 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 75' ' ' LEU . 94.7 t -60.79 -41.31 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 74.21 110.754 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.554 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 31.4 p -60.27 -40.01 88.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 74.43 110.628 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.32 92.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.668 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.593 HG12 ' HE1' ' A' ' 16' ' ' TRP . 76.5 mt -59.79 -40.99 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.964 -0.562 . . . . 70.41 110.294 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 mmm -66.28 -34.66 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 73.33 111.283 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 80' ' ' THR . 9.3 mmm180 -65.69 -34.16 77.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.381 . . . . 70.24 110.061 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.449 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 5.9 t80 -73.59 -30.52 63.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 63.54 109.716 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.7 85.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 72.31 110.246 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' MET . 94.6 t -69.02 -27.02 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 61.15 110.574 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.449 ' HB3' ' O ' ' A' ' 85' ' ' TYR . 32.2 tt0 -57.35 -42.22 81.6 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.336 175.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.7 -15.82 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 54.23 109.983 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t70 44.03 76.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.718 1.207 . . . . 54.42 113.345 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.514 ' HH ' HG21 ' A' ' 48' ' ' ILE . 38.6 p90 -111.21 7.83 21.36 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.479 0.657 . . . . 75.31 109.688 169.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 pt -120.09 -39.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.386 -0.825 . . . . 75.45 111.897 -175.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 61.25 24.1 14.25 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.015 0.912 . . . . 73.4 110.868 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.4 m -147.49 137.97 23.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.872 -0.604 . . . . 60.12 110.082 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -112.74 86.37 8.63 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 116.361 -0.381 . . . . 74.31 111.243 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.45 0.94 9.62 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.189 . . . . 50.52 111.796 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.778 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . -104.0 6.31 36.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.686 -0.688 . . . . 45.34 111.106 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -68.37 -47.56 67.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.116 -0.493 . . . . 65.2 110.194 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -124.31 30.35 6.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 72.13 109.438 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.778 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.6 tmt? -58.09 -53.89 53.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.308 -0.86 . . . . 54.2 109.855 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.694 -0.684 . . . . 72.24 109.316 174.666 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.174 0.511 . . . . 75.11 111.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -116.52 -168.86 1.52 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 75.51 109.753 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 53.5 t80 -69.58 -28.15 65.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.463 -0.569 . . . . 72.31 109.463 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.35 -45.3 73.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.725 -0.67 . . . . 70.52 110.416 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.72 -48.29 66.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 72.42 112.745 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.673 HD12 HD13 ' A' ' 48' ' ' ILE . 56.4 mt -69.71 -41.87 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 74.33 111.383 -175.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 62.32 110.414 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 50.3 ttt180 -69.13 -36.61 77.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.232 -0.894 . . . . 63.42 111.08 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -58.87 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.97 0.794 . . . . 73.01 111.693 -173.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -74.42 -24.88 59.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.464 -0.335 . . . . 73.02 111.2 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.93 -29.97 69.99 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.299 -0.251 . . . . 73.52 111.238 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 98.4 mt-10 -68.58 -18.22 64.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.761 0.315 . . . . 64.32 111.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 m -75.87 -15.38 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.375 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 8.0 t30 -95.44 -2.27 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.539 . . . . 72.11 109.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 71.7 mmtt 75.13 156.79 0.18 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.334 -0.848 . . . . 70.04 112.806 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 67.95 114.88 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 113.986 -1.461 . . . . 63.43 112.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 p90 -139.69 -55.19 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.297 -1.319 . . . . 74.32 109.589 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 39.7 t 58.76 115.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.245 0.966 . . . . 63.1 112.552 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.93 -29.63 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 73.43 110.769 175.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.16 -48.82 32.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.398 0.618 . . . . 75.51 110.291 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -70.5 -24.63 62.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.753 . . . . 74.15 109.918 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.569 ' HG3' HD13 ' A' ' 32' ' ' LEU . 18.4 tpt180 -46.51 -43.94 17.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.745 0.818 . . . . 65.55 112.83 -175.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 m -55.59 -32.63 63.23 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.189 0.519 . . . . 54.04 111.357 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 7.1 mpt_? -81.24 -37.79 28.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 64.22 109.945 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -65.24 -38.5 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 74.42 110.697 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 28' ' ' ARG . 6.4 mp -62.95 -37.94 89.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 72.4 111.45 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -30.37 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.433 0.635 . . . . 71.23 109.475 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -69.73 -47.61 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.253 -0.885 . . . . 71.31 111.226 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 40' ' ' PHE . 3.2 pp -68.65 -20.94 64.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.271 0.471 . . . . 72.41 112.271 -175.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.625 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 50.8 mt-10 -70.35 -32.11 69.67 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.716 0.293 . . . . 65.04 111.272 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -103.31 -33.91 8.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.099 0.407 . . . . 70.02 112.099 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.597 ' HH ' HG21 ' A' ' 71' ' ' VAL . 29.5 t80 -96.26 -33.18 12.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.843 0.312 . . . . 73.55 111.843 -172.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.515 HG12 ' HA ' ' A' ' 35' ' ' LEU . 34.4 mm -97.22 -61.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.64 -0.424 . . . . 74.33 111.215 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 35' ' ' LEU . 4.0 p90 -131.35 84.36 56.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.158 0.504 . . . . 74.23 111.425 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.625 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 12.6 Cg_exo -70.61 -56.28 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.789 2.326 . . . . 73.44 113.05 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -103.51 -9.79 19.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.87 -0.332 . . . . 73.0 111.564 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 ' HB2' ' A' ' 40' ' ' PHE . 28.8 pt -104.33 3.72 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.975 0.416 . . . . 73.21 110.857 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' ' HD1' ' A' ' 40' ' ' PHE . . . -87.35 4.31 86.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.935 -0.65 . . . . 54.02 111.758 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -96.33 12.77 29.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 74.21 110.533 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -126.26 148.69 49.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 71.42 110.073 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -82.22 153.1 26.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.126 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.673 HD13 HD12 ' A' ' 12' ' ' ILE . 18.9 tt -71.24 -13.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.548 . . . . 71.34 111.007 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.72 -24.39 67.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 74.41 110.278 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -127.35 78.55 1.82 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.605 0.717 . . . . 74.32 109.361 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD11 ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -88.59 161.35 16.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.048 -0.978 . . . . 65.3 109.348 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' H ' HD11 ' A' ' 51' ' ' LEU . 74.3 mmtt -122.58 161.81 23.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.008 0.433 . . . . 74.25 111.081 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.409 ' OG1' ' HD2' ' A' ' 55' ' ' HIS . 2.3 p -75.71 -162.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.411 -0.813 . . . . 75.14 111.186 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.406 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.9 m -52.03 -12.27 0.21 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.678 0.992 . . . . 71.12 113.678 -174.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HD2' ' OG1' ' A' ' 53' ' ' THR . 82.6 m-70 -58.24 -36.93 73.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.768 0.318 . . . . 71.55 110.315 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.497 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -74.3 -15.53 60.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.934 0.397 . . . . 74.2 111.131 -177.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.37 -20.16 55.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 51.33 110.935 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.67 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.73 -53.73 61.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 111.886 0.328 . . . . 64.43 111.886 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 54.9 Cg_exo -55.51 -44.85 44.36 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.159 1.906 . . . . 60.13 112.892 176.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.9 mm -67.96 -30.35 47.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.273 0.559 . . . . 74.41 110.56 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -69.65 -25.77 64.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.753 . . . . 73.35 110.05 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.52 -49.65 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 70.14 110.056 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.35 -40.78 89.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.134 0.492 . . . . 74.43 109.968 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.589 ' HA ' ' O ' ' A' ' 68' ' ' LYS . 1.1 t70 -55.65 -58.32 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.086 -0.961 . . . . 71.52 111.48 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 m -78.41 -19.84 52.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.07 -0.514 . . . . 64.51 111.755 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -71.19 -32.2 68.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 74.21 110.392 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.09 -48.63 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.166 -1.016 . . . . 54.23 113.315 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.638 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -90.66 80.82 5.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.666 0.746 . . . . 73.42 111.61 -175.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -73.06 -53.48 10.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.452 -1.249 . . . . 71.04 111.469 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -61.35 -48.1 82.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.147 -0.933 . . . . 71.13 111.909 -168.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.597 HG21 ' HH ' ' A' ' 38' ' ' TYR . 26.8 m -63.62 -36.7 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 75.11 111.42 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . . . -67.15 -43.94 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 63.02 110.677 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.489 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -62.49 -45.04 94.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.557 . . . . 64.5 110.797 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -62.55 -32.31 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.78 -0.646 . . . . 73.11 111.592 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 71' ' ' VAL . 5.4 mp -73.3 -49.37 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 64.51 111.396 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.8 pt20 -61.25 -43.31 99.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 74.25 111.276 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.14 -29.62 68.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.898 0.38 . . . . 75.21 111.042 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -69.28 -22.36 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.05 111.011 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.17 -35.06 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 62.42 110.943 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.3 p -60.98 -41.55 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 51.05 110.745 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -40.66 83.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.41 110.266 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.32 -45.63 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 54.53 110.514 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.911 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 10.7 mmt -58.81 -38.55 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 63.41 110.676 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -61.0 -45.67 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.35 110.937 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.17 -30.86 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.342 . . . . 73.14 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.02 72.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.855 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG23 ' ND2' ' A' ' 95' ' ' ASN . 99.8 t -79.04 -37.68 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 74.54 110.334 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 71.34 109.614 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.18 -7.22 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.373 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.04 65.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.005 -0.998 . . . . 53.21 111.978 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -109.56 -10.2 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 75.22 110.518 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.0 pt -122.45 169.53 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 70.31 109.975 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -103.67 -48.75 3.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.037 0.446 . . . . 74.12 111.174 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.522 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 10.0 m -98.53 166.06 11.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 73.42 111.212 -173.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' HG23 ' A' ' 87' ' ' VAL . 15.5 m120 -110.25 86.14 4.98 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.553 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 94' ' ' SER . 18.0 Cg_endo -94.38 -169.42 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.315 2.677 . . . . 73.52 112.455 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.479 ' HB3' ' HG3' ' A' ' 83' ' ' MET . . . 58.49 82.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.433 -0.803 . . . . 62.44 112.211 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -138.4 -47.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.459 . . . . 61.21 109.952 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.43 32.5 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.813 0.816 . . . . 72.34 110.388 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.452 ' HE3' ' O ' ' A' ' 76' ' ' GLN . 3.6 ppp? -120.56 9.59 10.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 74.13 109.671 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 CA-C-N 115.059 -0.973 . . . . 71.33 109.585 178.58 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 p90 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.461 -0.57 . . . . 75.04 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.721 ' H ' ' HB ' ' A' ' 11' ' ' THR . 77.8 p -129.41 -164.57 1.42 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.342 -0.845 . . . . 54.11 109.385 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 48' ' ' ILE . 47.5 t80 -63.67 -49.51 72.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 73.14 110.747 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -75.88 -35.76 59.74 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 116.414 -0.357 . . . . 74.14 110.367 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.721 ' HB ' ' H ' ' A' ' 8' ' ' THR . 56.1 m -62.14 -35.42 78.7 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.836 0.68 . . . . 64.44 112.836 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.686 HD11 HD11 ' A' ' 48' ' ' ILE . 58.2 mt -72.37 -37.24 57.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 121.924 -0.485 . . . . 75.14 110.446 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.58 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.081 0.467 . . . . 74.33 110.0 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.751 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 4.7 tpp180 -52.31 -31.49 33.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.302 1.041 . . . . 55.41 112.152 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.71 -57.19 11.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.368 -0.833 . . . . 75.53 109.966 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.637 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 53.8 p-90 -81.48 -30.14 33.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.078 0.466 . . . . 73.54 111.091 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.751 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 17.1 t-160 -62.54 -27.9 69.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.905 0.705 . . . . 74.44 112.905 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.619 ' OE1' ' HD2' ' A' ' 14' ' ' ARG . 12.2 tp10 -65.49 -3.51 4.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.955 0.407 . . . . 51.14 111.681 -176.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -66.29 -28.54 68.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.482 -0.326 . . . . 72.13 111.532 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 69.59 156.92 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.913 0.485 . . . . 70.31 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -89.26 -40.94 12.48 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.158 0.429 . . . . 73.31 112.158 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -159.95 165.67 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.573 -0.529 . . . . 73.03 109.573 -174.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.469 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 11.4 m-90 -62.18 90.73 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.471 0.653 . . . . 75.31 111.507 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.6 m -163.27 38.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.953 -1.128 . . . . 65.3 107.953 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -49.9 -53.2 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.881 -1.054 . . . . 62.23 111.891 -169.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.17 -46.39 75.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.847 -0.615 . . . . 71.12 111.447 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -75.73 -42.66 49.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.843 -0.617 . . . . 72.24 111.589 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.19 -24.61 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.545 0.202 . . . . 61.34 111.545 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -70.58 -41.97 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 72.21 110.563 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -82.27 -33.99 28.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.589 -0.278 . . . . 51.01 110.874 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 69.6 t -65.51 -38.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.615 -0.266 . . . . 74.44 111.01 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.73 -24.19 8.23 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.615 0.572 . . . . 74.32 111.927 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 33' ' ' ARG . 35.9 ttt180 -50.75 -31.05 15.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 64.15 111.7 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HD1' ' O ' ' A' ' 31' ' ' VAL . 3.2 p90 -54.75 -25.86 30.52 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.898 -0.592 . . . . 75.52 111.614 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD11 HG13 ' A' ' 39' ' ' ILE . 41.7 tp -56.25 -42.82 77.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.779 0.323 . . . . 74.13 111.319 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.78 -32.66 74.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 74.42 111.68 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -103.47 -41.07 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.359 0.504 . . . . 71.24 112.359 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -76.97 -37.0 56.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.37 -0.377 . . . . 73.43 111.097 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.49 HD12 ' HG ' ' A' ' 75' ' ' LEU . 48.0 mm -99.2 -29.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 74.02 111.269 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.4 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 64.0 m-85 -120.36 61.22 8.11 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.841 -0.344 . . . . 75.12 111.434 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.4 -56.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.342 1.361 . . . . 72.05 112.396 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -105.97 -21.04 13.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.273 0.558 . . . . 74.15 110.41 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG22 ' HB2' ' A' ' 56' ' ' LEU . 40.3 pt -94.09 16.22 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.619 -0.719 . . . . 74.33 112.161 -171.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -62.5 -9.21 23.56 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.248 -0.501 . . . . 75.32 113.403 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -87.19 7.49 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.786 0.327 . . . . 64.13 111.01 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -73.84 143.26 45.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.499 . . . . 62.53 111.778 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -99.65 134.66 42.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.211 -0.904 . . . . 73.51 109.189 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 9' ' ' PHE . 12.8 tt -75.72 -21.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.703 0.764 . . . . 75.42 109.806 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.712 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 7.0 ttp85 -78.33 -20.55 51.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.398 -0.819 . . . . 70.34 109.639 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -138.05 80.12 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.96 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -82.31 138.34 34.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.449 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HD3' ' HE2' ' A' ' 55' ' ' HIS . 89.7 mttt -104.08 171.83 7.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.34 0.591 . . . . 74.03 112.572 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.705 HG23 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -73.0 -172.69 1.09 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.597 -0.729 . . . . 70.04 111.348 -177.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.705 ' H ' HG23 ' A' ' 53' ' ' THR . 4.5 p -71.99 16.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.89 1.07 . . . . 74.05 113.89 -169.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.563 ' HE2' ' HD3' ' A' ' 52' ' ' LYS . 34.4 p80 -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.041 -0.664 . . . . 72.24 109.591 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HB2' HG22 ' A' ' 43' ' ' ILE . 4.6 pp -76.9 -15.18 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.584 -0.735 . . . . 62.14 110.837 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.49 -13.49 59.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 75.35 111.226 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' HD2' ' A' ' 59' ' ' PRO . . . -48.54 -54.41 26.72 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.047 0.758 . . . . 52.05 113.047 -177.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.447 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -61.27 -29.01 85.5 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.905 1.737 . . . . 64.14 113.426 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 HD12 ' HG2' ' A' ' 59' ' ' PRO . 3.4 mp -72.29 -25.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.317 0.579 . . . . 74.41 109.454 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.744 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 1.3 mmmp? -69.98 -25.64 63.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.625 0.726 . . . . 73.23 110.297 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.41 -49.03 79.37 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.55 -1.205 . . . . 63.41 110.56 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.434 HG21 ' HB2' ' A' ' 68' ' ' LYS . 10.1 p -77.93 -28.51 15.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.215 0.531 . . . . 71.22 110.236 177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.744 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -55.97 -52.28 64.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 54.22 110.859 175.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.6 m -73.34 -14.57 61.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 75.4 111.305 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.9 m -71.04 -18.44 62.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.436 -0.347 . . . . 61.42 110.979 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.28 -1.88 14.31 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.577 -0.821 . . . . 53.24 113.039 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.776 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.8 mmpt? -105.14 24.23 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.327 0.584 . . . . 75.11 110.442 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -59.34 -25.45 64.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.093 -0.958 . . . . 74.14 112.92 -175.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.8 t70 -61.65 -54.03 48.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.793 0.27 . . . . 61.24 111.213 -176.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.9 m -69.13 -34.48 63.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 54.42 110.899 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.93 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.073 0.463 . . . . 74.5 110.271 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 16.9 tt0 -62.53 -45.05 94.72 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.668 -0.696 . . . . 72.22 110.659 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 24.5 mmt180 -49.24 -42.4 40.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.183 -0.917 . . . . 71.42 111.031 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.49 ' HG ' HD12 ' A' ' 39' ' ' ILE . 4.3 mm? -73.57 -48.14 35.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 74.01 111.97 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -66.15 -35.24 79.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.192 0.52 . . . . 65.42 111.293 -176.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -65.16 -34.78 79.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.681 -0.69 . . . . 73.31 109.945 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 82' ' ' ILE . 8.2 tpp180 -75.55 -30.82 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.051 -0.522 . . . . 74.43 110.471 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 75' ' ' LEU . 84.0 t -58.83 -42.56 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 121.315 0.579 . . . . 62.34 109.522 172.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.4 m -65.7 -34.25 77.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.343 -0.844 . . . . 65.1 110.462 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . . . -67.63 -34.32 76.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.733 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.637 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 77.3 mt -61.5 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 72.43 109.958 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.837 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 17.7 mmt -56.64 -34.65 67.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 72.44 111.07 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -57.43 -45.1 85.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 74.51 111.047 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -77.32 -28.78 53.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 74.33 110.905 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.29 90.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.116 0.484 . . . . 72.43 110.413 173.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 83' ' ' MET . 97.7 t -60.62 -28.58 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.922 -0.581 . . . . 74.23 110.874 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -60.01 -32.02 70.48 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.006 0.431 . . . . 72.24 110.756 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.625 ' HB3' ' HD1' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -88.71 -6.37 57.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.07 -0.513 . . . . 75.33 110.806 -177.754 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 63.97 10.89 5.65 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.522 -0.763 . . . . 63.53 112.999 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.712 ' HE2' ' HA ' ' A' ' 49' ' ' ARG . 43.2 p90 -78.34 -26.81 46.92 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.129 -0.628 . . . . 75.21 111.617 -173.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.522 HG21 ' CE2' ' A' ' 91' ' ' TYR . 11.3 pt -89.81 -28.51 5.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 120.987 -0.285 . . . . 74.22 111.431 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 70.27 -60.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.908 0.755 . . . . 52.12 112.068 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 t -83.64 175.03 10.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.752 0.311 . . . . 72.42 110.399 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -115.59 87.52 17.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 53.22 110.397 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -79.45 -175.85 2.95 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.554 2.169 . . . . 71.13 111.89 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.7 18.84 7.56 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.529 -0.759 . . . . 65.31 111.622 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 p -67.71 -26.85 66.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.103 -0.499 . . . . 74.11 111.763 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.29 -12.01 57.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 73.23 111.217 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.0 mmt -57.16 -51.23 70.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.173 0.511 . . . . 74.51 110.954 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.955 -0.566 . . . . 62.31 110.808 -179.283 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.509 ' HE2' ' HG3' ' A' ' 49' ' ' ARG . 9.6 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 122.305 1.05 . . . . 75.2 109.99 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -91.95 165.34 13.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.375 -0.83 . . . . 75.54 109.997 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 13.2 p90 -66.8 -24.58 66.2 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.533 -0.543 . . . . 73.52 109.533 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.69 -44.37 66.21 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.566 -0.743 . . . . 74.45 110.862 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.31 -41.71 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 75.32 110.543 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.7 mm -68.42 -38.22 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 71.4 110.431 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.26 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 70.5 111.374 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -65.14 -28.95 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.487 -0.324 . . . . 73.52 110.927 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -59.66 4.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.547 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -80.1 -29.33 39.01 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.871 -0.332 . . . . 72.24 111.616 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.44 -28.64 68.05 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.362 0.504 . . . . 65.01 112.362 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HG2' ' HD3' ' A' ' 28' ' ' ARG . 19.2 tt0 -72.29 -7.41 49.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.698 0.285 . . . . 62.12 111.725 -173.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 64.24 110.501 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.46 -176.95 0.21 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.77 -0.65 . . . . 75.34 111.715 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -106.27 -46.01 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.402 -0.962 . . . . 65.43 108.402 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 88.78 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.162 -1.421 . . . . 73.44 107.162 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -52.36 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.133 0.896 . . . . 71.22 112.672 -169.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 15.0 m -156.1 137.23 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 62.32 109.284 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.2 pm0 -69.27 -26.79 64.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.343 -0.39 . . . . 62.24 111.722 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.89 -30.78 67.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.969 0.414 . . . . 70.12 110.309 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.448 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 38.4 m170 -71.7 -28.34 63.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 71.32 110.723 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.555 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 83.6 mtt180 -56.53 -45.71 81.0 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 123.418 0.449 . . . . 73.32 110.702 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -62.92 -33.64 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 71.03 111.036 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -76.93 -48.9 16.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.526 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.02 -16.46 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 74.45 111.454 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 1.3 tm? -66.3 -47.12 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.389 -0.597 . . . . 75.3 109.389 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -29.87 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.075 -0.511 . . . . 73.52 109.945 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -64.57 -37.79 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 74.14 109.873 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.536 HD13 ' HB ' ' A' ' 39' ' ' ILE . 49.0 tp -58.63 -46.34 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.365 -0.834 . . . . 71.22 110.524 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.35 -34.38 68.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 73.44 112.197 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -95.35 -41.39 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.536 0.569 . . . . 73.52 112.536 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -96.09 -11.81 25.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.811 0.339 . . . . 75.51 111.593 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.536 ' HB ' HD13 ' A' ' 35' ' ' LEU . 46.6 mt -135.25 122.56 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-O 121.512 0.672 . . . . 73.21 111.105 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.511 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.1 m-85 71.42 54.12 0.38 Allowed Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 114.382 -1.281 . . . . 75.23 112.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 14.9 Cg_exo -68.44 -51.68 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 121.922 1.748 . . . . 74.12 112.459 -176.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -103.12 -2.02 28.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 63.22 111.926 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 56' ' ' LEU . 33.0 pt -127.8 11.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.763 0.653 . . . . 74.13 112.763 -170.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.431 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -97.14 10.16 65.55 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.078 -1.058 . . . . 44.14 113.519 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 p -107.72 4.36 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.081 0.4 . . . . 73.13 112.081 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -99.24 148.47 24.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 71.23 112.188 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.8 163.73 21.14 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.512 -0.767 . . . . 74.15 110.252 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.418 HD12 ' HB1' ' A' ' 86' ' ' ALA . 18.7 tt -75.51 -28.31 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 111.95 0.352 . . . . 70.25 111.95 -175.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.509 ' HG3' ' HE2' ' A' ' 7' ' ' TYR . 46.2 mtt180 -72.52 -21.33 61.2 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.01 -0.276 . . . . 65.44 111.338 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -114.11 72.26 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.877 0.846 . . . . 60.01 109.481 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.88 137.71 32.15 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.725 -1.125 . . . . 74.1 109.194 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.868 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.6 mmtp -85.37 164.94 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 70.4 110.563 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.646 HG21 ' H ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -90.9 -161.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.021 -0.536 . . . . 74.43 109.614 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.646 ' H ' HG21 ' A' ' 53' ' ' THR . 16.1 m -59.29 -0.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.129 0.789 . . . . 71.34 113.129 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' HD2' ' HB ' ' A' ' 53' ' ' THR . 42.0 m-70 -58.32 -34.86 71.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.033 0.444 . . . . 71.54 110.195 174.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.868 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.0 pp -77.37 -14.71 59.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 64.43 111.162 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.542 HD11 ' HE1' ' A' ' 100' ' ' MET . 64.5 tp -78.22 -18.94 54.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 75.13 110.911 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.678 ' HB1' ' HD3' ' A' ' 59' ' ' PRO . . . -54.61 -53.05 64.46 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.243 0.46 . . . . 75.23 112.243 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.678 ' HD3' ' HB1' ' A' ' 58' ' ' ALA . 32.3 Cg_exo -61.63 -35.32 81.47 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.119 1.88 . . . . 72.32 112.634 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.498 ' HB ' HD12 ' A' ' 57' ' ' LEU . 45.2 mm -71.59 -24.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.471 0.653 . . . . 74.51 109.976 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 5.0 tmtm? -65.71 -26.51 67.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.254 -0.885 . . . . 73.53 109.934 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.84 -28.84 67.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.941 -0.572 . . . . 73.12 110.268 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.9 -39.92 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 73.14 111.031 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.8 p30 -75.51 -40.17 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.69 -0.404 . . . . 74.43 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.9 m -73.8 -52.86 11.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.815 0.34 . . . . 72.45 111.389 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -91.02 15.6 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.759 -0.201 . . . . 71.01 111.479 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.46 -132.17 1.37 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.319 -0.944 . . . . 64.23 113.036 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.559 ' N ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -88.18 91.81 8.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.665 0.269 . . . . 75.05 110.936 -175.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.456 ' HB3' ' O ' ' A' ' 64' ' ' ASP . 5.2 p-80 -66.48 -26.64 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 74.33 110.768 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 10.5 t70 -64.39 -52.3 58.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 72.25 110.048 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.52 -39.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.406 -0.816 . . . . 72.11 111.345 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.35 77.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.629 0.233 . . . . 71.51 111.629 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.327 0.584 . . . . 71.55 110.182 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 48.1 mtt180 -58.0 -44.05 86.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.544 -0.753 . . . . 73.42 110.086 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.33 -30.22 64.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.394 -0.821 . . . . 64.53 112.695 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.33 -36.84 68.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.536 -0.466 . . . . 71.14 111.148 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -56.76 -17.88 10.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.632 -0.713 . . . . 73.42 112.626 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.0 ptt-85 -50.42 -34.21 23.69 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.223 0.453 . . . . 75.43 112.223 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' HB ' ' SD ' ' A' ' 100' ' ' MET . 19.4 t -72.11 -33.61 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.414 -0.357 . . . . 74.14 110.676 -176.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.2 m -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.234 0.54 . . . . 73.42 109.936 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.491 ' O ' ' HD1' ' A' ' 85' ' ' TYR . . . -64.86 -45.1 87.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.893 -0.594 . . . . 73.51 109.899 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 78' ' ' ARG . 35.8 mm -53.11 -44.82 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.969 -0.559 . . . . 74.42 110.254 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.664 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -58.05 -38.57 76.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.121 -0.945 . . . . 62.11 111.194 -177.135 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -70.37 -50.97 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 74.2 111.173 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.491 ' HD1' ' O ' ' A' ' 81' ' ' ALA . 65.1 m-85 -60.18 -30.37 69.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.974 0.416 . . . . 75.54 110.981 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.418 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -66.62 -35.29 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 62.41 111.306 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.82 -40.95 21.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.974 0.416 . . . . 74.22 110.089 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.66 -31.48 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 75.44 111.617 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -113.46 10.06 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.668 0.247 . . . . 70.34 111.668 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.27 73.06 0.41 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.594 0.59 . . . . 72.45 112.594 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -110.74 -45.11 3.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.672 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 94' ' ' SER . 25.6 pt -103.56 159.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.387 0.514 . . . . 74.12 112.387 -169.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -112.95 5.53 17.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.81 -0.632 . . . . 71.14 110.518 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.487 ' O ' HD12 ' A' ' 92' ' ' ILE . 33.7 t -154.55 154.29 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 62.24 109.807 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -119.73 85.21 32.81 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.816 0.341 . . . . 75.33 110.899 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.664 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 11.9 Cg_exo -72.17 -44.64 0.8 Allowed 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.835 2.356 . . . . 70.42 113.136 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.32 33.57 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -60.49 -43.28 97.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 51.0 110.213 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -101.71 -69.75 0.77 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.719 -0.673 . . . . 74.33 109.615 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.542 ' HE1' HD11 ' A' ' 57' ' ' LEU . 26.9 ttt 72.01 -54.31 0.68 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.932 0.77 . . . . 54.41 112.532 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 O-C-N 123.263 0.352 . . . . 64.24 111.842 -175.7 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 75.21 110.703 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -71.56 129.29 38.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 75.23 111.054 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.881 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.3 t80 -55.49 -48.42 74.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.988 0.423 . . . . 64.35 110.768 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.58 -32.94 67.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 73.43 111.349 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -70.83 -39.37 73.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 73.54 110.622 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.44 -33.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 73.12 110.144 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.81 69.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 64.22 111.107 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -66.5 -30.55 70.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 71.3 111.003 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -57.57 10.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.628 -0.715 . . . . 73.32 110.934 -174.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 56.4 p-90 -79.2 -35.13 42.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 73.01 111.788 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -69.07 -23.82 64.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.941 0.348 . . . . 71.11 111.941 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -52.7 -25.98 12.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.037 0.535 . . . . 65.23 111.585 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -58.84 -23.03 60.11 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.107 -0.497 . . . . 75.35 111.248 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -120.66 23.11 10.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.879 0.371 . . . . 54.34 111.342 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 47.7 mmtt -141.99 173.5 11.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.815 0.34 . . . . 73.31 111.237 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 7.8 mpt_? -125.63 160.89 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 64.0 109.238 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 m-90 -68.92 89.5 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.439 0.462 . . . . 72.05 111.573 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 m -143.99 100.29 3.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.616 -0.72 . . . . 64.34 109.55 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.72 -30.57 70.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.395 . . . . 71.31 111.835 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.32 -44.23 96.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.02 0.438 . . . . 74.15 110.324 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -64.32 -41.76 96.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.758 -0.656 . . . . 64.13 109.254 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -57.58 -47.4 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 73.25 110.869 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -65.04 -36.99 86.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.106 0.41 . . . . 70.44 112.106 -176.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 30' ' ' ARG . 67.1 mtt180 -81.28 -43.37 19.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.617 0.229 . . . . 74.33 111.617 -176.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.28 -26.81 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 72.35 110.239 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tt -57.73 -37.34 73.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.549 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.85 -41.96 82.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 72.21 110.04 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.8 -44.02 94.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 74.03 109.777 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.449 HD11 HG13 ' A' ' 39' ' ' ILE . 51.5 tp -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.408 -0.815 . . . . 44.31 110.556 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.36 -55.13 34.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 74.44 111.628 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.38 -26.03 66.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.646 0.61 . . . . 75.13 112.646 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -104.81 -36.58 7.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.473 0.546 . . . . 73.5 112.473 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.501 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 48.8 mm -95.3 -32.76 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.911 -0.316 . . . . 74.13 111.452 -175.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m-85 -125.47 54.53 10.13 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 121.042 -0.263 . . . . 73.05 111.352 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 10.5 Cg_exo -70.15 -56.48 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.674 1.583 . . . . 64.34 112.519 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -105.5 -2.29 23.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 65.43 111.355 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 56' ' ' LEU . 40.8 pt -112.56 13.68 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 111.707 0.262 . . . . 75.33 111.707 -174.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.25 -4.54 37.19 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.198 -0.525 . . . . 65.23 113.565 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 m -86.46 -1.07 57.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.977 0.388 . . . . 72.42 110.949 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -82.89 134.87 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.407 -0.36 . . . . 74.31 110.587 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.26 142.92 30.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.969 -0.752 . . . . 75.41 108.969 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.881 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 14.8 tt -58.78 -20.35 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 112.62 0.6 . . . . 75.41 112.62 -174.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -67.56 -21.7 65.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.806 0.336 . . . . 71.24 111.168 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -146.21 83.59 1.62 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.625 0.726 . . . . 73.01 109.871 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.634 HD11 ' H ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -77.82 150.11 34.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.977 -1.011 . . . . 71.53 109.004 178.265 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.638 ' HB2' HD23 ' A' ' 56' ' ' LEU . 97.5 mttt -94.43 170.41 9.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.128 0.49 . . . . 64.42 111.826 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 54' ' ' SER . 2.5 m -73.92 -179.39 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.015 178.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.775 ' H ' HG23 ' A' ' 53' ' ' THR . 3.4 m -68.01 12.57 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.547 0.943 . . . . 72.24 113.547 -172.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -74.8 -25.98 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 72.22 109.94 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 52' ' ' LYS . 3.6 pp -67.82 -13.69 62.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.685 -0.689 . . . . 74.25 111.638 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HG ' ' HG2' ' A' ' 61' ' ' LYS . 55.8 tp -72.94 -17.71 61.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.368 -0.378 . . . . 74.11 111.984 -176.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.12 -52.07 65.64 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.869 0.692 . . . . 51.23 112.869 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 71.0 Cg_exo -50.39 -48.82 18.53 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.508 2.139 . . . . 74.42 113.326 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 60' ' ' ILE . 4.1 mp -64.34 -31.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.31 0.576 . . . . 72.11 110.349 -178.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 58.5 mmtt -69.14 -24.41 64.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 74.14 112.054 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.39 -47.41 79.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.279 -0.419 . . . . 75.45 110.263 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.595 HG12 ' HB2' ' A' ' 68' ' ' LYS . 19.9 t -77.17 -34.23 21.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.409 0.624 . . . . 73.42 109.947 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.577 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.5 t70 -54.45 -54.25 43.28 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.974 -1.012 . . . . 75.42 111.177 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -64.87 -23.76 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.698 -0.683 . . . . 65.05 112.124 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.5 m -71.68 -11.52 60.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.838 0.351 . . . . 72.4 110.856 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.93 -11.21 7.82 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.782 -0.723 . . . . 64.31 112.372 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.953 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.6 mmpt? -87.01 22.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.261 0.553 . . . . 74.43 111.322 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.524 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.2 p-80 -61.05 -14.37 23.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.391 -0.822 . . . . 75.21 111.794 176.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.07 -50.37 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.224 -0.287 . . . . 54.03 110.224 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.32 -37.36 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 70.42 110.779 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' A' ' 69' ' ' HIS . . . -60.13 -57.25 13.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 64.14 111.938 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.3 tp60 -57.88 -47.09 83.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 70.14 110.883 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -49.33 72.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.26 -0.882 . . . . 73.03 111.742 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.98 -35.21 64.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.111 0.412 . . . . 61.24 112.111 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.3 pp0? -70.63 -44.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.277 . . . . 72.12 111.076 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -66.43 -19.02 65.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.11 0.481 . . . . 72.0 110.735 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -64.65 -27.37 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 64.05 111.394 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 76' ' ' GLN . 7.4 p -64.89 -31.8 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.906 0.384 . . . . 64.41 110.72 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.2 m -61.17 -31.05 70.79 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.015 0.436 . . . . 73.22 110.466 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.75 61.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.383 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.5 -35.04 68.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.864 -0.607 . . . . 75.42 109.957 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.927 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 10.9 mmt -60.33 -33.03 71.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.677 -0.692 . . . . 73.41 111.449 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -68.35 -31.34 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.75 0.309 . . . . 74.34 110.992 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 16' ' ' TRP . 19.1 m-85 -73.09 -29.57 63.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 74.24 110.417 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.87 75.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.071 -0.513 . . . . 73.55 110.052 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 83' ' ' MET . 92.4 t -66.78 -36.07 76.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.223 -0.444 . . . . 70.34 110.306 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.682 . . . . 73.12 110.167 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -95.29 5.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 73.41 111.098 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.4 t70 53.21 39.02 29.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.922 0.868 . . . . 52.43 110.439 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.604 ' HE2' HG23 ' A' ' 48' ' ' ILE . 8.6 t80 -87.39 -20.14 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.309 -0.86 . . . . 73.3 110.905 -174.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.5 pt -117.01 154.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 75.24 110.646 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.17 -31.39 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.362 0.601 . . . . 73.13 110.198 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.9 m -110.16 162.27 14.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.012 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -118.17 86.28 26.36 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.904 0.383 . . . . 72.4 110.763 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.72 -175.38 2.26 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.518 2.145 . . . . 75.42 111.861 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.2 12.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.157 -0.474 . . . . 75.34 111.459 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -89.31 -17.51 28.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.92 0.39 . . . . 73.21 110.674 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -125.24 68.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.445 0.641 . . . . 73.3 110.659 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.78 13.62 18.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.928 -0.578 . . . . 73.13 110.239 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.565 -0.743 . . . . 64.23 110.194 178.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 121.932 0.873 . . . . 75.12 108.646 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -62.56 161.95 11.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 113.893 -1.503 . . . . 62.24 111.132 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.465 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 42.7 t80 -49.05 -49.18 42.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 75.44 112.287 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -37.69 77.48 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 121.241 -0.184 . . . . 72.51 111.341 -173.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 8' ' ' THR . 12.4 t -70.36 -30.96 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.871 -0.518 . . . . 75.54 111.279 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.564 HG21 ' HB2' ' A' ' 86' ' ' ALA . 60.0 mt -76.13 -38.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.547 -0.538 . . . . 74.41 109.547 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -63.92 -29.49 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 74.12 110.331 174.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' A' ' 25' ' ' GLU . 3.3 mmt-85 -52.92 -32.4 45.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.708 -0.678 . . . . 74.2 112.153 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -57.25 -55.29 36.62 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.505 0.503 . . . . 75.11 110.547 -176.694 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.624 ' HE1' HG12 ' A' ' 82' ' ' ILE . 70.1 p-90 -80.64 -32.57 36.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.726 -0.215 . . . . 72.22 111.001 175.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -50.93 -28.33 9.49 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.88 0.696 . . . . 64.21 112.88 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 9.9 pt-20 -65.49 -20.7 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.518 0.199 . . . . 74.54 111.489 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -79.0 -20.57 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.45 . . . . 63.13 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -78.97 176.89 9.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 73.41 109.719 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.667 ' HB3' ' HZ3' ' A' ' 23' ' ' TRP . 62.9 mmtt -72.79 99.43 2.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.636 0.731 . . . . 73.21 111.328 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' HD3' ' OE2' ' A' ' 25' ' ' GLU . 1.2 tmm_? -137.42 98.29 3.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.93 -1.032 . . . . 73.23 109.169 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.667 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 44.0 p90 -106.6 -1.89 22.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.487 -0.779 . . . . 73.14 110.772 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -163.2 140.28 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.935 -0.575 . . . . 74.22 110.234 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 21.4 mm-40 -69.16 -27.37 65.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.655 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.47 -35.72 74.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 74.22 110.852 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -63.86 -28.31 69.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.643 -0.708 . . . . 63.23 111.283 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 23.8 ptt180 -72.22 -24.55 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.563 -0.455 . . . . 72.24 110.293 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -73.0 -33.09 65.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.228 0.537 . . . . 72.02 110.298 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.4 -39.05 62.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 72.22 111.007 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 28' ' ' ARG . 32.7 m -83.71 -14.61 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 75.1 111.271 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 7.4 tt -53.13 -51.45 61.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.871 0.367 . . . . 63.32 110.377 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.376 -0.374 . . . . 75.41 110.812 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -70.18 -48.24 58.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 74.45 110.522 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HA ' HG12 ' A' ' 39' ' ' ILE . 4.0 pp -70.46 -29.55 66.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 71.24 111.155 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 43.8 tt0 -75.0 -29.93 61.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 73.43 111.205 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 41' ' ' PRO . 41.2 tp -98.61 -27.11 14.15 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.341 0.497 . . . . 72.12 112.341 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -108.8 -34.96 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.523 0.564 . . . . 70.21 112.523 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.532 HG12 ' HA ' ' A' ' 35' ' ' LEU . 43.8 mm -85.3 -57.68 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.757 0.313 . . . . 74.21 110.405 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.612 ' HB2' HG13 ' A' ' 43' ' ' ILE . 8.5 p90 -131.23 76.22 76.55 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.067 0.461 . . . . 75.34 110.885 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 56.1 Cg_endo -76.01 -57.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.498 2.132 . . . . 40.13 113.884 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.93 -16.23 34.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 74.0 110.618 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.612 HG13 ' HB2' ' A' ' 40' ' ' PHE . 24.1 pt -102.85 9.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.54 . . . . 73.41 110.454 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -74.82 1.75 52.48 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.87 -0.605 . . . . 75.3 112.298 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 p -87.75 -10.73 50.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.169 0.509 . . . . 75.11 110.002 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -107.56 113.02 26.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.677 -0.692 . . . . 72.41 110.471 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 23.0 t70 -79.78 161.92 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.887 -0.597 . . . . 72.43 110.04 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 12' ' ' ILE . 16.5 tt -57.04 -23.87 19.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 122.591 0.356 . . . . 72.01 111.495 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' HB3' ' A' ' 47' ' ' ASP . 24.9 ptt180 -54.75 -26.79 36.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.147 -0.479 . . . . 75.02 111.168 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -148.75 85.37 1.49 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.891 0.377 . . . . 74.44 110.508 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 52' ' ' LYS . 18.5 tp -92.67 161.77 14.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.699 -0.482 . . . . 63.43 109.699 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 94.2 mttt -117.38 176.47 5.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.405 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.57 HG23 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -69.68 -164.4 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.015 0.436 . . . . 74.12 111.628 -178.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 53' ' ' THR . 16.0 m -66.48 11.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.853 0.686 . . . . 72.44 112.853 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 53' ' ' THR . 79.3 m-70 -65.62 -28.4 69.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.262 -0.644 . . . . 74.45 109.262 175.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.596 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.6 pp -73.48 -14.91 61.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.267 -0.878 . . . . 74.14 111.169 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 tp -73.28 -21.39 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 52.14 110.589 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.63 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -59.15 -51.29 82.75 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.026 0.38 . . . . 60.05 112.026 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 50.5 Cg_exo -56.84 -31.59 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.213 1.942 . . . . 73.21 112.84 173.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -68.55 -28.63 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.888 -0.412 . . . . 70.23 109.888 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.87 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 0.6 OUTLIER -68.94 -25.33 64.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 73.01 110.448 -178.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -58.34 -49.91 75.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 74.2 109.995 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.74 -33.29 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.002 0.43 . . . . 64.44 110.429 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.87 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.46 -58.01 10.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.776 -0.647 . . . . 65.4 111.908 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -71.71 -12.62 61.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.451 . . . . 75.31 111.237 -173.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -15.7 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.957 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.3 -3.13 7.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.59 -0.815 . . . . 72.24 112.349 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 18.66 10.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.794 0.33 . . . . 72.45 110.179 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.442 ' HB2' ' OD1' ' A' ' 64' ' ' ASP . 5.4 p-80 -54.65 -41.91 70.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.363 -0.835 . . . . 73.15 112.148 -170.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.84 -38.94 61.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 75.45 110.464 -174.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.7 t -72.98 -48.86 42.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.683 -0.69 . . . . 74.21 110.445 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.18 93.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.957 -0.565 . . . . 63.03 111.29 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 17.2 tt0 -59.12 -46.42 88.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 74.42 110.968 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -63.06 -38.41 91.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.261 -0.881 . . . . 64.34 110.813 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.19 -46.54 49.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.452 -0.34 . . . . 72.51 111.438 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 79' ' ' VAL . 4.7 pp0? -61.48 -37.54 83.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 73.5 111.143 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -20.02 62.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.762 -0.654 . . . . 64.34 111.41 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.573 ' O ' HG13 ' A' ' 82' ' ' ILE . 28.3 mmt180 -64.11 -32.52 74.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.732 -0.213 . . . . 74.42 111.319 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 76' ' ' GLN . 13.2 m -66.91 -31.91 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.794 0.33 . . . . 74.25 110.296 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.506 HG22 ' HB1' ' A' ' 97' ' ' ALA . 3.1 m -60.83 -40.38 92.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.072 -0.513 . . . . 54.24 110.351 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.4 81.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.781 -0.645 . . . . 65.11 110.565 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.624 HG12 ' HE1' ' A' ' 16' ' ' TRP . 40.7 mt -59.89 -45.08 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.102 177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 92.7 mmm -64.49 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 75.4 110.945 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 2.7 tmt_? -67.14 -38.84 86.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.263 -0.426 . . . . 75.02 110.023 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -73.99 -41.63 61.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.002 0.429 . . . . 75.12 110.387 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 12' ' ' ILE . . . -65.01 -40.87 95.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.296 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 84' ' ' ARG . 2.7 p -68.1 -27.62 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.436 -0.347 . . . . 74.34 110.508 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.72 74.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.823 -0.626 . . . . 75.23 109.7 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -89.01 1.23 55.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 75.53 110.577 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.4 t0 55.72 40.28 30.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.074 0.94 . . . . 74.24 109.209 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -101.07 -18.12 16.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.937 -1.029 . . . . 71.11 112.081 -168.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.571 HG13 ' H ' ' A' ' 93' ' ' ASP . 2.1 pt -103.41 -88.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.758 1.021 . . . . 74.45 113.758 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.571 ' H ' HG13 ' A' ' 92' ' ' ILE . 35.3 t70 -177.34 46.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.424 -0.584 . . . . 72.35 109.424 -170.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.576 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 56.8 m 71.45 -158.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.157 -0.928 . . . . 52.41 110.591 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.85 87.71 7.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 111.937 0.347 . . . . 64.43 111.937 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.1 Cg_exo -76.64 -17.98 15.67 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.697 2.265 . . . . 74.21 112.255 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.506 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -93.91 82.68 4.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.196 0.522 . . . . 73.11 110.822 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -133.6 139.06 46.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.91 -0.586 . . . . 73.14 110.073 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.06 15.37 10.05 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.101 0.953 . . . . 62.4 109.646 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.443 ' HE1' HD11 ' A' ' 56' ' ' LEU . 27.5 ttt -70.7 -33.93 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.956 -1.02 . . . . 73.22 110.765 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 62.12 111.06 179.046 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' A' ' 12' ' ' ILE . 11.1 t80 . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 121.687 0.756 . . . . 72.22 109.054 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 12' ' ' ILE . 12.6 m -61.59 142.73 56.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.693 -1.14 . . . . 72.1 112.681 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.777 ' HD1' ' HB ' ' A' ' 48' ' ' ILE . 93.5 t80 -49.18 -46.33 45.32 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.159 -0.928 . . . . 73.31 111.673 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.44 -33.23 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 71.24 110.642 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 m -68.33 -40.18 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.059 0.457 . . . . 55.53 110.637 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.552 HD13 ' HB3' ' A' ' 86' ' ' ALA . 22.5 mt -63.72 -41.15 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 53.41 109.933 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -65.03 -37.78 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 72.4 110.553 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 21.5 ttt180 -63.75 -37.3 86.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.936 -0.575 . . . . 74.3 111.201 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.85 -55.23 28.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.977 -0.556 . . . . 74.0 111.463 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.647 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.7 p-90 -79.15 -25.16 42.88 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.272 -0.571 . . . . 74.44 110.887 178.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 81.9 t60 -61.03 -31.25 70.88 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.827 -0.17 . . . . 70.54 111.358 174.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.6 mt-10 -72.79 -3.27 24.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.739 0.305 . . . . 74.23 111.184 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 m -88.59 0.37 56.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.296 0.569 . . . . 72.11 109.563 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.416 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 15.4 t-20 -106.32 -174.91 2.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.575 -0.739 . . . . 72.2 109.102 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 1.5 tmtp? -113.99 -26.27 8.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.501 0.185 . . . . 62.34 111.501 -174.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.546 ' HG3' ' H ' ' A' ' 23' ' ' TRP . 6.2 tpt180 -92.71 174.79 7.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.156 0.503 . . . . 73.01 111.472 -172.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.546 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 9.1 m95 49.7 81.0 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.731 -1.122 . . . . 74.11 112.965 -177.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -73.87 174.72 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.271 -0.877 . . . . 71.42 109.31 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.95 -41.75 92.55 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.687 0.254 . . . . 75.3 111.687 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.34 -46.02 69.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 71.31 110.661 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -73.75 -30.24 62.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 73.33 110.389 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.9 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.53 . . . . 71.45 110.036 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -67.82 -35.06 77.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.141 -0.481 . . . . 73.41 111.287 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -78.99 -42.31 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 74.43 110.983 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -62.82 -13.87 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.88 -0.6 . . . . 54.44 111.091 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 2.6 tm? -51.64 -32.17 28.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.668 0.387 . . . . 60.43 110.999 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.441 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -66.84 -51.77 51.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 74.41 110.253 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.31 -34.95 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 75.22 110.133 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.952 HD21 ' HB ' ' A' ' 39' ' ' ILE . 2.5 tm? -52.48 -59.95 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.949 -1.023 . . . . 51.25 109.65 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 43.9 mt-10 -55.51 -30.31 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.994 0.738 . . . . 75.32 112.994 -174.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 37' ' ' LEU . 4.0 mm? -92.68 -39.47 11.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.753 0.649 . . . . 63.3 112.753 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -113.25 -41.64 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.802 0.667 . . . . 72.22 112.802 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.952 ' HB ' HD21 ' A' ' 35' ' ' LEU . 34.7 mm -100.84 102.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 71.13 109.581 -173.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HE2' ' A' ' 9' ' ' PHE . 5.0 m-85 67.25 58.37 0.85 Allowed Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 114.112 -1.404 . . . . 75.44 109.444 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.38 -56.54 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.18 1.92 . . . . 75.11 113.412 -170.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.98 -5.7 21.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 71.45 110.668 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.463 HG13 ' HB3' ' A' ' 40' ' ' PHE . 30.0 pt -105.53 -9.92 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.271 -0.422 . . . . 73.35 111.212 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.23 33.8 2.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.093 -0.575 . . . . 72.13 112.413 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -107.93 -10.37 15.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.575 -0.528 . . . . 73.15 109.575 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -131.07 140.44 50.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 65.44 110.2 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.547 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . 13.0 t70 -79.44 164.11 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.397 -0.365 . . . . 74.42 110.968 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.834 ' HA ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 tt -57.31 -34.89 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 113.095 0.776 . . . . 73.3 113.095 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.495 ' HG3' ' HA ' ' A' ' 92' ' ' ILE . 70.4 ttt180 -66.17 -9.59 33.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.33 111.646 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.547 ' NE2' ' HB3' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -138.23 18.07 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.313 -0.403 . . . . 55.15 110.535 178.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.834 ' HG ' ' HA ' ' A' ' 48' ' ' ILE . 20.9 mt -59.28 162.18 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.427 0.632 . . . . 71.21 111.36 173.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -109.34 176.09 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.57 -0.741 . . . . 72.3 111.07 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.445 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.4 p -73.14 -162.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.786 -0.643 . . . . 61.23 111.987 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.445 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.3 m -60.6 5.56 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.95 1.093 . . . . 75.23 113.95 -170.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -64.86 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.387 -0.598 . . . . 73.03 109.387 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 pt? -65.73 -14.25 60.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.271 -0.877 . . . . 61.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.42 -18.93 63.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.57 -0.286 . . . . 75.01 111.452 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -55.49 44.2 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.485 0.55 . . . . 61.02 112.485 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 36.5 Cg_endo -67.57 -18.49 48.68 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.745 1.63 . . . . 61.01 113.21 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.643 HG22 ' HB3' ' A' ' 72' ' ' ALA . 1.9 mp -79.11 -26.7 13.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.949 -0.76 . . . . 75.12 108.949 172.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -71.65 -40.43 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.885 -0.598 . . . . 73.24 110.542 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' ' 59' ' ' PRO . 12.5 pt-20 -67.11 -35.5 79.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.325 -0.398 . . . . 74.24 110.912 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.473 HG21 ' HA ' ' A' ' 60' ' ' ILE . 27.6 m -76.43 -30.13 19.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.033 0.444 . . . . 61.23 110.477 176.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.565 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -61.01 -46.02 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 73.35 110.289 171.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.0 m -79.99 -12.76 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.56 . . . . 73.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 t -72.69 -22.11 60.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 62.12 110.414 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.64 -31.14 3.45 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.756 -0.735 . . . . 73.34 112.179 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.95 51.99 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 75.51 110.462 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 6.3 p80 -68.95 -19.76 64.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.3 -0.864 . . . . 75.14 110.879 -177.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.42 -42.18 75.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 74.23 109.725 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.6 -45.35 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 71.43 109.763 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.643 ' HB3' HG22 ' A' ' 60' ' ' ILE . . . -55.74 -49.35 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.741 . . . . 72.34 111.099 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -56.45 -47.36 79.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.37 0.605 . . . . 51.23 110.443 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -57.97 -40.9 81.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.332 -0.849 . . . . 60.13 111.599 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 39' ' ' ILE . 2.4 mm? -59.25 -40.98 87.66 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.875 0.11 . . . . 73.33 111.244 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -61.55 -46.76 88.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.69 0.757 . . . . 74.14 109.632 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -64.02 -42.06 97.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.825 -1.079 . . . . 62.2 110.886 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.524 HH11 HD21 ' A' ' 75' ' ' LEU . 59.2 mtt85 -57.39 -53.18 61.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.946 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 83' ' ' MET . 33.5 m -66.28 -32.26 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.009 -0.276 . . . . 71.03 111.241 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.6 m -59.11 -44.38 91.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.738 0.304 . . . . 72.33 110.701 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.8 90.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.265 -0.425 . . . . 75.15 110.324 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.647 HG12 ' HE1' ' A' ' 16' ' ' TRP . 77.0 mt -59.3 -41.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 70.12 110.998 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.641 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 38.6 mmt -54.35 -51.03 66.04 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.264 -0.425 . . . . 71.31 110.489 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.8 ttm180 -58.92 -45.11 91.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 74.11 111.774 -175.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -68.06 -34.39 76.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.82 0.343 . . . . 75.04 111.167 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' HD13 ' A' ' 12' ' ' ILE . . . -69.48 -37.03 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 75.11 110.854 178.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 83' ' ' MET . 96.1 t -65.62 -40.07 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 71.13 110.569 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 79.1 mm-40 -62.69 -32.69 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 70.34 111.271 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -5.19 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.43 -0.35 . . . . 70.35 110.981 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.56 26.12 15.52 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.55 0.574 . . . . 63.45 112.55 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -91.17 -51.9 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.286 0.476 . . . . 72.11 112.286 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.495 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 41.2 pt -69.35 -23.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.656 0.243 . . . . 72.25 111.656 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 70.75 -59.27 0.54 Allowed 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.044 0.84 . . . . 71.2 111.846 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -81.42 171.67 14.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.083 -0.508 . . . . 64.11 110.756 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -119.87 85.91 35.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.195 -0.457 . . . . 64.53 110.913 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.584 ' HG2' ' SD ' ' A' ' 83' ' ' MET . 72.3 Cg_endo -78.97 -178.15 4.44 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.711 1.607 . . . . 65.54 111.136 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 50.81 26.04 2.42 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.289 0.368 . . . . 63.11 111.78 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -66.6 0.5 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.007 0.432 . . . . 75.55 111.179 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.31 64.23 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.244 -1.021 . . . . 70.42 108.244 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.427 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.8 tmt? -96.48 -34.77 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.654 -1.157 . . . . 72.34 111.254 -170.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.321 -0.4 . . . . 53.05 110.296 -178.738 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.127 0.489 . . . . 74.34 110.574 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 11' ' ' THR . 12.4 p -106.14 -167.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 71.43 111.473 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.9 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.438 . . . . 71.41 110.981 -173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.71 -42.4 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 75.14 111.882 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 8' ' ' THR . 15.3 t -66.12 -29.78 70.15 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.951 0.352 . . . . 51.33 111.951 -171.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 HG23 ' HD2' ' A' ' 85' ' ' TYR . 46.1 mm -72.52 -46.59 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 73.42 110.331 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.62 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.21 0.529 . . . . 74.24 110.262 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 2.2 tmt_? -58.77 -28.77 66.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.108 -0.951 . . . . 73.42 111.136 -177.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.22 -59.1 2.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 65.41 111.566 -174.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -81.64 -35.17 30.31 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.459 0.54 . . . . 74.41 112.459 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -73.47 -22.29 60.2 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.385 0.513 . . . . 75.23 112.385 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.676 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.9 tt0 -50.11 -47.72 53.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.987 0.736 . . . . 74.23 112.987 -169.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 t -84.46 3.88 34.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.024 0.379 . . . . 63.25 112.024 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.24 99.79 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.788 -0.365 . . . . 73.31 111.976 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -172.34 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.603 . . . . 73.21 109.514 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -162.83 114.33 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.91 -0.774 . . . . 72.15 108.91 -179.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -71.79 91.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 72.12 111.424 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 p 175.95 119.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.165 -0.925 . . . . 65.23 109.193 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.5 pm0 -62.63 -32.68 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.362 0.505 . . . . 73.22 112.362 -172.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.28 -47.47 79.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.304 0.573 . . . . 70.43 110.402 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 31' ' ' VAL . 9.5 m-70 -72.57 -33.16 66.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 75.43 109.5 -178.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' HG21 ' A' ' 31' ' ' VAL . 12.3 tpt85 -65.55 -37.71 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.406 -0.815 . . . . 74.13 111.246 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -77.42 -39.96 45.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.65 0.262 . . . . 71.45 111.413 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -64.85 -33.83 76.93 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.913 0.338 . . . . 70.42 111.913 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 28' ' ' ARG . 27.8 m -66.09 -16.18 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.634 0.254 . . . . 73.53 111.474 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.77 -36.38 84.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.476 . . . . 64.41 109.892 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -71.75 -32.91 68.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.044 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.77 -24.33 59.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 75.01 109.684 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.625 ' O ' ' HB ' ' A' ' 39' ' ' ILE . 29.4 tp -60.91 -31.88 71.37 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.387 -0.824 . . . . 62.01 110.514 177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -75.33 -29.26 59.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 74.24 110.995 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 38' ' ' TYR . 3.1 tt -81.32 -65.25 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 72.41 111.51 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD2' HD23 ' A' ' 37' ' ' LEU . 2.6 m-85 -102.9 5.87 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.317 0.488 . . . . 72.53 112.317 -172.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.625 ' HB ' ' O ' ' A' ' 35' ' ' LEU . 29.2 mm -121.5 129.26 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 109.007 -0.738 . . . . 60.23 109.007 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.758 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 36.7 m-85 65.06 54.83 1.2 Allowed Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.633 -1.167 . . . . 73.44 111.047 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -55.76 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.067 1.845 . . . . 74.54 112.557 -175.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -105.2 -10.85 16.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 64.52 110.699 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.425 HG22 ' HB3' ' A' ' 56' ' ' LEU . 36.2 pt -112.04 15.03 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.267 -0.424 . . . . 74.22 112.097 -170.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.758 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -60.95 -29.22 70.15 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.167 -0.54 . . . . 53.22 113.784 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.7 m -96.32 16.36 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.141 0.423 . . . . 71.14 112.141 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -75.82 169.9 17.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.745 0.307 . . . . 71.0 110.657 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -104.67 165.06 11.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 74.32 109.395 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.2 tt -77.71 -38.38 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.915 0.388 . . . . 65.44 110.118 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -80.69 -22.91 39.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.369 -0.604 . . . . 54.43 109.369 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.814 HE21 ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -131.96 85.05 2.21 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.335 -0.848 . . . . 72.34 110.387 177.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -96.22 160.97 14.15 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.488 -1.233 . . . . 72.24 109.484 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -75.9 158.39 32.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 73.54 111.528 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.452 ' HB ' ' H ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -82.27 -162.3 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.53 -0.759 . . . . 72.25 110.751 175.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' A' ' 100' ' ' MET . 16.9 m -65.49 8.31 0.17 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.537 0.569 . . . . 75.15 112.537 -175.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.449 ' H ' ' C ' ' A' ' 53' ' ' THR . 21.2 m-70 -70.05 -26.77 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.169 -0.678 . . . . 63.44 109.169 173.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 43' ' ' ILE . 4.5 pp -65.59 -15.62 62.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.53 -0.759 . . . . 73.22 111.288 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.31 -24.09 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.389 . . . . 72.52 111.021 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -55.38 45.44 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.106 0.41 . . . . 72.12 112.106 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.33 -24.25 37.48 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.743 1.629 . . . . 50.22 112.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.461 ' O ' HG21 ' A' ' 63' ' ' VAL . 47.7 mm -73.81 -24.29 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 74.21 109.536 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -70.3 -39.78 74.63 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.601 -0.439 . . . . 71.13 110.872 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.85 -33.59 70.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.766 -0.373 . . . . 71.21 110.86 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 60' ' ' ILE . 10.8 m -74.19 -31.62 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.507 -0.553 . . . . 70.42 109.507 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -56.33 23.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.492 -0.776 . . . . 61.21 110.499 172.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -72.42 -12.47 61.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.492 -0.776 . . . . 71.44 111.188 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -66.49 -11.5 52.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.605 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.74 3.89 10.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.362 -0.923 . . . . 64.12 113.117 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -122.19 56.15 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.569 0.699 . . . . 74.44 110.621 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -58.95 -42.16 89.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 72.41 110.472 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 7.9 m-20 -61.38 -44.07 97.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.614 -0.721 . . . . 65.21 110.271 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 44.9 t -63.99 -46.62 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.62 -0.718 . . . . 74.02 110.295 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -55.84 -47.55 77.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 73.43 111.22 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -61.04 -44.3 97.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.048 0.451 . . . . 71.43 111.185 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.593 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 5.8 mpt_? -60.19 -41.05 92.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.986 -0.552 . . . . 72.43 111.176 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 88.1 mt -61.06 -36.38 79.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.681 0.252 . . . . 72.32 111.681 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 9.1 mm-40 -56.09 -50.42 71.08 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.731 . . . . 62.31 109.732 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.89 -20.73 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.803 -1.09 . . . . 70.01 111.737 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.593 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 6.2 mpt_? -72.33 -53.61 11.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.679 -0.237 . . . . 73.12 111.136 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.54 -34.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.848 0.314 . . . . 71.52 111.848 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.3 m -64.33 -40.04 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 64.04 110.483 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.06 81.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 52.01 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 78' ' ' ARG . 57.7 mt -64.57 -51.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 71.45 110.047 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.531 ' HG3' HD12 ' A' ' 92' ' ' ILE . 32.8 ttm -59.68 -39.96 86.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.316 -0.856 . . . . 74.33 111.702 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 19.3 tpt180 -66.04 -29.09 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.708 -0.224 . . . . 72.42 111.453 -175.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.412 ' HD2' HG23 ' A' ' 12' ' ' ILE . 25.5 t80 -74.79 -34.8 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 64.41 109.86 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.73 -17.87 64.13 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.798 -0.637 . . . . 73.13 111.777 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 92' ' ' ILE . 58.5 t -58.91 -44.23 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.948 0.404 . . . . 73.21 110.191 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -71.28 -23.7 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 62.32 110.257 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -87.58 7.0 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.526 -0.761 . . . . 73.24 111.367 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.95 3.1 4.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 112.356 0.502 . . . . 71.43 112.356 172.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.57 -52.94 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 72.51 111.894 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.531 HD12 ' HG3' ' A' ' 83' ' ' MET . 29.2 pt -102.62 160.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.09 0.472 . . . . 71.22 112.002 -173.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.14 -31.27 6.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.541 -0.754 . . . . 73.33 110.411 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.417 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 23.1 t -130.28 156.94 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 63.34 110.085 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.87 87.33 10.05 Favored Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.462 -0.336 . . . . 74.23 110.94 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.435 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 16.4 Cg_exo -68.33 -16.04 43.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.678 2.252 . . . . 75.11 112.528 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.77 6.91 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 74.04 111.789 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -90.9 -8.33 49.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 63.43 111.233 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.39 -39.44 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.723 0.297 . . . . 74.33 111.674 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.679 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 2.0 ppp? -70.05 -27.19 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 65.41 112.727 -173.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.187 0.518 . . . . 52.51 111.136 -177.106 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.442 0.534 . . . . 73.04 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 21.1 m -91.81 128.24 37.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.112 -0.494 . . . . 71.54 110.204 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -52.28 -50.12 62.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.06 -0.518 . . . . 74.14 111.809 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.47 -31.99 72.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 71.24 111.428 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 20.6 m -73.04 -31.76 64.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.376 . . . . 75.14 111.423 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.2 -28.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.374 0.607 . . . . 72.41 109.389 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 71.34 110.931 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 17.3 tpp180 -51.75 -35.73 44.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.043 -0.526 . . . . 64.35 111.794 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 55.02 111.398 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -82.48 -28.28 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.781 0.289 . . . . 71.31 111.781 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -52.13 -28.8 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.704 0.631 . . . . 75.52 112.704 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 21.4 mm-40 -63.77 -8.11 9.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.177 0.436 . . . . 54.23 112.177 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -80.59 -14.88 57.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 74.31 110.345 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -96.69 157.54 15.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 75.33 109.881 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -130.74 170.73 13.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.718 0.294 . . . . 72.32 111.603 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 4.3 tmt_? 67.2 90.42 0.09 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.228 -0.896 . . . . 73.24 110.696 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -134.57 -178.61 5.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.636 -0.711 . . . . 75.34 110.426 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -155.75 115.74 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.605 . . . . 71.41 109.499 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -62.1 -27.79 69.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.122 -0.49 . . . . 61.55 112.079 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.29 -51.45 20.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.962 0.411 . . . . 74.2 110.702 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.9 -27.54 64.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.354 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -47.53 -46.98 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 74.0 111.68 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -71.42 -28.01 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 71.13 111.47 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.64 -46.29 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.855 0.36 . . . . 75.22 110.208 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.93 -20.26 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 71.05 110.421 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.21 -36.29 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 65.4 110.472 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -65.71 -38.29 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 74.21 110.826 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -67.98 -39.27 83.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.511 -0.552 . . . . 74.51 109.511 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.593 HD13 HD11 ' A' ' 39' ' ' ILE . 43.2 tp -56.46 -53.9 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.281 -0.872 . . . . 72.22 111.396 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.91 -31.01 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 72.45 111.847 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.04 -2.32 56.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.669 0.248 . . . . 72.11 111.669 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -123.42 -58.91 1.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 73.12 111.469 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.618 HD13 ' HG ' ' A' ' 75' ' ' LEU . 64.5 mt -94.4 -31.8 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.949 -0.569 . . . . 65.24 111.796 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -122.54 54.78 6.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.908 -0.317 . . . . 74.5 111.077 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.84 -58.46 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.437 1.424 . . . . 72.12 112.808 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.33 -15.85 14.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.816 0.341 . . . . 75.51 111.405 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 56' ' ' LEU . 45.8 pt -87.43 2.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.422 -0.354 . . . . 75.21 111.169 -175.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.03 -1.46 63.11 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.886 -0.673 . . . . 73.12 111.616 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 t -88.69 -2.38 58.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.422 . . . . 65.03 110.265 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 m -103.81 124.6 49.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 64.52 110.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.81 167.13 12.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.195 -0.457 . . . . 70.24 110.245 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -59.55 -37.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.192 0.441 . . . . 72.01 112.192 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 72.1 mtm180 -74.66 -35.05 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.757 0.313 . . . . 62.24 111.017 -177.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 78.75 1.41 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.669 ' HB3' ' HG3' ' A' ' 96' ' ' PRO . 31.7 tp -102.27 161.41 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 74.42 109.952 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.4 mmtp -100.79 174.64 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 75.42 112.07 -173.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.2 p -97.23 -161.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.955 -1.02 . . . . 62.11 111.764 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' H ' ' HB ' ' A' ' 53' ' ' THR . 15.9 m -59.12 -0.59 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.898 1.073 . . . . 62.14 113.898 -173.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -63.46 -31.69 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.064 0.459 . . . . 74.45 109.836 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.537 ' O ' HD11 ' A' ' 60' ' ' ILE . 4.1 pp -76.46 -15.51 59.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 71.42 111.685 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.29 -33.24 75.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.64 0.257 . . . . 74.21 111.193 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.55 44.11 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.99 0.737 . . . . 73.54 112.99 -175.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.3 -31.38 43.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.828 1.686 . . . . 72.02 112.938 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.537 HD11 ' O ' ' A' ' 56' ' ' LEU . 1.7 mp -73.97 -24.3 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.304 0.573 . . . . 70.03 109.828 177.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -67.19 -26.18 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 62.13 110.064 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.75 -33.72 64.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.323 -0.853 . . . . 73.21 110.698 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -65.26 -46.29 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.07 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 45.3 t0 -62.6 -37.48 86.42 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.522 -0.763 . . . . 74.13 110.191 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 m -56.65 -39.78 74.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 65.43 110.81 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 m -73.87 -38.81 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.099 0.476 . . . . 73.52 109.866 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 64' ' ' ASP . . . 152.75 -142.71 9.54 Favored Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.336 -1.106 . . . . 71.15 110.336 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 52.86 42.19 31.95 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.113 0.482 . . . . 73.44 111.151 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -17.76 54.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.53 -0.759 . . . . 74.53 111.556 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 14.3 t70 -76.02 -42.59 47.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 62.41 109.905 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.5 t -68.0 -50.6 57.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.417 -0.81 . . . . 74.21 111.254 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.34 -51.3 68.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.055 0.455 . . . . 54.33 110.942 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 30.8 tp60 -60.65 -44.83 95.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.492 -0.777 . . . . 73.53 110.397 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 17.2 tpt180 -55.33 -45.94 76.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.409 -0.814 . . . . 71.14 111.393 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.618 ' HG ' HD13 ' A' ' 39' ' ' ILE . 4.1 mm? -69.05 -41.6 77.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 72.32 111.664 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 19.8 pt20 -67.84 -37.64 82.16 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.609 -0.437 . . . . 70.02 110.472 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.87 -40.37 92.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.773 -0.649 . . . . 71.33 110.05 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.466 ' HD3' HD12 ' A' ' 75' ' ' LEU . 60.3 mtp180 -56.45 -44.14 80.2 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.847 177.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 83' ' ' MET . 53.5 t -57.94 -52.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.386 . . . . 62.34 110.795 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 p -61.74 -33.56 74.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.367 . . . . 74.4 111.733 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.31 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.973 0.416 . . . . 74.21 110.558 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.6 mt -63.79 -35.35 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 75.34 111.019 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.814 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 20.7 mmt -58.41 -32.94 69.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.806 0.336 . . . . 61.31 111.01 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.35 -45.99 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.251 0.548 . . . . 70.45 110.262 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -69.07 -29.93 68.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 75.51 110.862 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.37 69.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 53.13 110.729 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 83' ' ' MET . 61.0 t -75.77 -46.62 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.098 0.475 . . . . 74.53 109.79 174.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.44 -43.27 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 65.23 111.156 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -91.09 6.07 46.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.298 -0.41 . . . . 74.31 111.083 -175.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.5 t70 58.31 67.26 0.96 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.477 0.656 . . . . 63.35 111.891 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 89' ' ' ASN . 51.5 m-85 -111.68 -46.82 3.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.793 -0.64 . . . . 73.1 111.35 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 pt -102.18 163.52 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.585 0.587 . . . . 72.12 112.585 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -104.57 -41.83 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.988 -1.005 . . . . 73.01 109.785 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -122.2 169.02 11.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.491 -0.777 . . . . 65.01 109.311 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -108.35 89.82 6.33 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 123.31 0.381 . . . . 71.35 110.611 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.669 ' HG3' ' HB3' ' A' ' 51' ' ' LEU . 43.7 Cg_endo -66.25 -172.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.951 2.434 . . . . 62.4 112.293 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.569 ' HB2' ' HG2' ' A' ' 100' ' ' MET . . . 59.56 30.63 20.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.566 0.698 . . . . 72.12 110.246 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -66.69 127.09 31.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.449 -0.796 . . . . 74.12 110.972 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t70 62.22 24.31 14.46 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.482 -0.781 . . . . 74.52 111.703 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.569 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 4.6 ppp? -75.68 -23.6 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.919 0.39 . . . . 75.22 110.749 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 74.13 110.585 179.641 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.399 0.143 . . . . 75.01 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m 55.85 94.75 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.606 0.566 . . . . 63.01 111.735 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.87 -39.59 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.895 -0.593 . . . . 75.0 110.794 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.51 -42.7 92.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.689 -0.687 . . . . 74.32 111.24 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -63.32 -40.44 97.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.93 0.395 . . . . 75.25 111.242 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.55 -32.37 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 72.31 110.646 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.07 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.289 0.566 . . . . 74.13 110.742 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.518 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 28.9 ttt-85 -70.86 -26.43 63.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.399 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -55.12 -52.37 63.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.822 -0.626 . . . . 73.14 111.846 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.758 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.9 p-90 -78.75 -24.67 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.633 -0.427 . . . . 72.12 110.812 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 2.5 t-80 -51.11 -28.56 10.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.201 0.6 . . . . 74.1 111.984 174.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.01 -27.31 68.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.815 0.672 . . . . 63.53 112.815 -174.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 p -92.46 21.6 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.387 0.514 . . . . 73.33 112.387 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -82.83 177.08 8.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.859 0.361 . . . . 72.12 110.908 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HG3' ' HG3' ' A' ' 22' ' ' ARG . 15.4 ptpt -56.92 -56.34 22.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.691 0.626 . . . . 75.34 112.691 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 22' ' ' ARG . 4.8 ppt_? -154.75 129.35 9.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.279 0.561 . . . . 72.33 110.572 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -72.28 97.96 2.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 75.22 111.496 -172.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 p -101.57 38.89 1.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.63 -0.714 . . . . 75.2 110.098 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 3.5 tp10 -58.88 -29.83 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 62.34 111.723 -172.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.06 -51.63 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 64.13 110.502 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -75.48 -28.21 59.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.774 -0.648 . . . . 72.45 110.687 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.579 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -65.33 -24.31 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 74.45 111.298 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -60.61 -38.25 84.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 75.35 110.129 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -68.39 -34.73 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.517 0.675 . . . . 75.51 109.996 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.56 -21.68 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.987 -1.006 . . . . 70.33 111.015 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.99 -34.05 67.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.574 -0.285 . . . . 70.44 111.282 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.9 -43.4 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 74.04 110.307 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' O ' ' HD1' ' A' ' 38' ' ' TYR . 68.4 t80 -75.47 -45.75 36.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.208 -0.906 . . . . 74.33 109.867 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG21 ' A' ' 39' ' ' ILE . 10.2 tt -53.75 -48.75 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.498 -0.773 . . . . 75.14 111.659 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.39 -47.65 66.1 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.235 0.458 . . . . 65.02 112.235 -174.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.84 -2.63 55.21 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.175 0.435 . . . . 55.53 112.175 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.566 ' HD1' ' O ' ' A' ' 34' ' ' TYR . 72.4 m-85 -120.11 5.45 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 74.32 111.315 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.512 HG21 ' O ' ' A' ' 35' ' ' LEU . 7.7 tp -112.69 -43.59 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.638 -0.255 . . . . 75.11 111.014 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 1.1 p90 -147.43 71.07 11.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.553 . . . . 74.42 111.77 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -73.25 -55.14 0.1 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.595 2.197 . . . . 62.55 112.506 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -95.97 -40.62 9.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 73.52 110.872 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 pp -92.9 12.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.001 -0.545 . . . . 72.45 112.14 -173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.616 ' CA ' ' HB2' ' A' ' 40' ' ' PHE . . . -71.87 -17.39 76.85 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.782 -0.723 . . . . 73.45 112.969 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -90.47 15.33 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.105 0.479 . . . . 75.25 111.186 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 m -99.22 158.53 15.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 53.25 110.59 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -88.65 137.83 31.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.402 -0.592 . . . . 74.1 109.402 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.37 -22.03 28.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 112.196 0.443 . . . . 74.31 112.196 -174.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.985 ' HA ' HG21 ' A' ' 92' ' ' ILE . 37.2 ttt180 -75.96 -6.24 50.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.003 0.43 . . . . 74.32 110.416 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -127.76 74.27 1.52 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.758 0.79 . . . . 74.55 110.566 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.86 158.88 16.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 65.14 109.927 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -128.68 177.39 7.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.913 0.387 . . . . 74.05 111.466 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -66.62 -160.34 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.393 -0.821 . . . . 73.45 111.765 179.286 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.557 ' H ' HG23 ' A' ' 53' ' ' THR . 4.0 m -56.57 5.72 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.481 1.289 . . . . 74.53 114.481 -173.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 53' ' ' THR . 77.3 m-70 -62.26 -28.54 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.17 -0.678 . . . . 73.42 109.17 172.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.714 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -63.91 -15.4 58.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.855 -1.066 . . . . 72.41 111.326 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.75 -18.74 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.987 0.366 . . . . 71.22 111.987 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB2' ' HD3' ' A' ' 59' ' ' PRO . . . -56.39 -56.0 36.47 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.57 0.582 . . . . 72.32 112.57 -177.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD3' ' HB2' ' A' ' 58' ' ' ALA . 50.2 Cg_exo -56.59 -37.39 97.64 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.109 1.872 . . . . 75.13 112.834 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.83 HG22 ' HB2' ' A' ' 72' ' ' ALA . 1.9 mp -64.91 -25.53 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 73.11 110.269 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.636 ' HD3' ' OD1' ' A' ' 64' ' ' ASP . 17.7 mmtt -68.14 -24.66 65.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 73.23 111.531 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.92 -49.17 68.94 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.698 -0.853 . . . . 74.32 108.698 173.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.7 t -68.11 -46.23 81.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.505 -0.771 . . . . 72.11 112.062 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.636 ' OD1' ' HD3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -66.45 -40.8 89.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.644 0.259 . . . . 75.1 110.645 -175.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -78.3 -17.58 56.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.631 . . . . 70.23 110.571 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -72.31 -20.31 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 72.41 109.585 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.89 -22.31 4.86 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.694 -0.685 . . . . 71.44 112.172 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -91.93 48.95 1.48 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.145 0.497 . . . . 62.24 110.969 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 1.9 p-80 -65.79 -29.77 70.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 74.54 111.666 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.63 -38.43 67.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.299 0.571 . . . . 75.13 109.85 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.95 -49.5 67.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 53.42 110.354 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -57.73 -36.41 72.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 72.03 111.324 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -57.25 -47.01 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.31 0.576 . . . . 73.4 110.241 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.21 -39.82 76.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.998 -1.001 . . . . 73.31 112.365 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 75' ' ' LEU . 3.3 mm? -60.16 -37.27 79.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.632 0.253 . . . . 75.23 111.302 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -63.44 -43.66 96.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.872 0.844 . . . . 62.5 109.9 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.28 -30.05 70.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.403 -1.272 . . . . 75.11 111.18 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.36 -39.11 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.45 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.4 p -68.66 -34.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 121.058 -0.257 . . . . 65.24 111.531 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -65.18 -30.67 71.59 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.024 0.44 . . . . 74.31 110.374 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.7 77.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.307 -0.406 . . . . 72.44 110.114 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.758 HG12 ' HE1' ' A' ' 16' ' ' TRP . 62.6 mt -61.21 -44.65 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 72.22 110.281 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.773 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 16.9 mmt -60.74 -44.22 96.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 74.31 110.251 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -52.1 -49.53 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.84 -0.618 . . . . 72.52 111.439 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -68.0 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 74.14 111.361 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.54 69.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.523 -0.308 . . . . 41.11 110.962 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 83' ' ' MET . 80.7 t -66.72 -36.86 78.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.355 . . . . 64.42 110.642 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.32 -35.41 65.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 72.23 111.722 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -93.25 2.22 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.416 -0.356 . . . . 71.1 111.825 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 60.56 22.84 12.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.846 0.458 . . . . 64.34 110.452 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.429 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 58.0 t80 -71.42 -40.82 70.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 72.34 111.203 -172.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.985 HG21 ' HA ' ' A' ' 49' ' ' ARG . 7.7 pt -92.49 -87.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.423 0.527 . . . . 75.25 112.423 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.838 ' H ' HG13 ' A' ' 92' ' ' ILE . 15.0 t70 174.58 -77.41 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.087 0.47 . . . . 74.22 109.797 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.4 p -98.49 -176.49 3.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.745 -0.661 . . . . 65.52 109.927 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.97 87.58 19.2 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.993 0.425 . . . . 74.4 110.275 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.79 -175.54 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.007 2.471 . . . . 60.42 112.283 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.87 11.14 3.09 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.142 -0.935 . . . . 54.44 112.109 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 p -76.7 -57.56 3.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 72.42 111.377 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.93 11.34 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.738 0.78 . . . . 63.22 109.891 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt -82.89 88.76 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.588 -0.733 . . . . 73.24 110.183 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.383 -0.826 . . . . 51.33 110.519 178.08 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 70.14 112.063 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 m -72.87 160.32 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 75.44 110.455 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.791 ' HA ' ' HB ' ' A' ' 48' ' ' ILE . 77.7 t80 -52.72 -46.43 67.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.395 0.517 . . . . 75.13 112.395 -175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.65 -33.23 70.74 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.64 -0.254 . . . . 73.51 111.288 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -54.93 -47.0 75.01 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.409 0.522 . . . . 71.14 112.409 -173.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.599 ' HB ' HD11 ' A' ' 48' ' ' ILE . 42.5 mt -75.34 -32.71 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 61.04 110.666 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.668 ' HB3' HG22 ' A' ' 82' ' ' ILE . . . -67.25 -30.36 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.255 0.55 . . . . 62.12 110.37 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.944 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 32.7 ttt-85 -57.43 -28.57 63.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.396 -0.82 . . . . 74.4 111.827 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 85' ' ' TYR . 11.0 tp10 -54.41 -55.7 26.08 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.909 -0.587 . . . . 71.21 110.771 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.896 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 61.0 p-90 -79.6 -28.08 41.06 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 74.42 110.263 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.944 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 1.2 t-160 -50.21 -44.0 52.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.339 0.655 . . . . 73.3 110.911 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.12 -19.72 64.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.849 0.356 . . . . 73.41 111.53 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -112.55 17.41 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.894 0.378 . . . . 75.21 110.949 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.14 -42.94 59.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 72.51 110.73 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HG3' ' H ' ' A' ' 22' ' ' ARG . 18.2 ptmt -144.38 -64.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.361 . . . . 62.4 111.344 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.474 ' H ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 ttp-105 -162.88 153.37 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 71.33 109.57 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -77.1 132.46 38.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.403 0.621 . . . . 74.04 111.768 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t -179.42 42.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.238 -1.393 . . . . 74.31 107.238 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.517 ' HG3' HH21 ' A' ' 14' ' ' ARG . 5.8 mm-40 -57.86 -23.88 55.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.329 1.603 . . . . 55.2 115.329 -164.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.16 -30.14 15.84 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.335 0.516 . . . . 73.32 111.452 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 31' ' ' VAL . 30.5 p-80 -59.27 -27.64 66.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.378 -0.374 . . . . 75.5 111.955 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.559 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 2.0 ptm180 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.778 0.288 . . . . 74.51 111.778 -173.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -73.71 -31.81 63.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.286 0.565 . . . . 72.01 110.444 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.93 -40.69 46.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.624 -0.716 . . . . 75.21 110.199 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 27' ' ' HIS . 61.1 t -70.09 -15.51 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 73.13 111.259 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 35' ' ' LEU . 57.9 mt -50.57 -36.07 32.97 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.19 0.441 . . . . 72.34 112.19 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -30.39 70.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.946 0.403 . . . . 63.24 110.985 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.19 -41.6 22.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 74.53 109.798 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 32' ' ' LEU . 98.4 mt -60.54 -46.68 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 65.25 111.259 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 50.3 mt-10 -55.46 -35.07 65.1 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.332 0.493 . . . . 72.21 112.332 -177.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.83 -45.51 7.28 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.606 0.595 . . . . 74.02 112.606 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -92.22 -19.18 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.977 0.418 . . . . 72.3 111.29 -172.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.6 HG22 ' CD2' ' A' ' 40' ' ' PHE . 26.4 mm -118.63 119.22 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.823 -0.806 . . . . 71.54 108.823 -175.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.831 ' HB2' HG13 ' A' ' 43' ' ' ILE . 16.0 p90 44.65 60.96 12.09 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.883 -1.053 . . . . 74.21 112.11 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.27 -47.89 11.09 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.982 2.455 . . . . 52.44 114.149 -172.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -100.19 -6.37 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 73.33 111.004 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.831 HG13 ' HB2' ' A' ' 40' ' ' PHE . 12.3 pt -114.26 15.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.115 -174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.26 -6.62 14.85 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 116.014 -0.539 . . . . 62.33 114.211 -176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -91.01 -1.19 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.348 0.574 . . . . 72.04 110.578 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.8 m -92.46 120.39 32.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.026 0.441 . . . . 72.4 110.709 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.518 ' HB2' ' HE ' ' A' ' 49' ' ' ARG . 13.3 m-20 -85.08 164.35 18.26 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.528 -0.545 . . . . 70.15 109.528 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.791 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 16.4 tt -73.11 -20.1 18.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.549 . . . . 75.34 110.293 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.518 ' HE ' ' HB2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -76.68 -9.35 58.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 65.32 110.565 176.232 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -143.06 70.08 1.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.509 0.671 . . . . 71.22 109.682 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 52' ' ' LYS . 5.3 tt -82.51 143.89 30.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.416 -0.811 . . . . 73.14 109.538 -178.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' HD22 ' A' ' 51' ' ' LEU . 97.0 mttt -106.88 176.68 5.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.188 -0.46 . . . . 65.0 111.829 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.792 HG23 ' H ' ' A' ' 54' ' ' SER . 1.7 m -82.32 -163.57 0.7 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.999 -0.546 . . . . 70.22 110.504 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.792 ' H ' HG23 ' A' ' 53' ' ' THR . 2.7 p -64.03 4.79 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.299 1.222 . . . . 75.01 114.299 -171.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.22 -28.7 62.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.316 0.579 . . . . 63.3 109.454 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.762 ' HB2' HD11 ' A' ' 43' ' ' ILE . 3.7 pp -70.74 -16.26 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.385 -0.825 . . . . 74.12 111.248 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 56' ' ' LEU . 61.8 tp -80.53 -20.89 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.677 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.57 -51.43 81.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.081 -0.509 . . . . 71.32 112.269 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 34.4 Cg_exo -60.34 -28.39 86.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.936 1.757 . . . . 72.24 112.951 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.52 ' O ' HG12 ' A' ' 63' ' ' VAL . 45.4 mm -72.34 -23.72 21.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.441 0.639 . . . . 75.43 110.144 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 12.1 mmtt -62.83 -24.79 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.591 -0.731 . . . . 65.33 111.192 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.68 -44.75 73.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.918 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.8 p -77.01 -30.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 62.15 110.557 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.99 -49.02 79.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 73.25 109.955 175.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -74.09 -16.81 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 73.22 110.963 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 t -82.1 8.26 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 72.33 110.585 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.417 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . 97.98 5.69 57.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.806 -0.711 . . . . 72.23 112.853 174.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.712 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -120.8 69.04 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.274 0.559 . . . . 65.14 110.389 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -73.96 -23.98 59.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.731 -0.668 . . . . 74.14 110.993 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 5.5 m-20 -69.9 -50.9 37.78 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.283 -0.417 . . . . 73.33 110.57 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 68' ' ' LYS . 11.7 p -62.85 -33.71 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 74.34 110.686 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.72 85.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.399 . . . . 64.22 110.689 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.506 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.0 mm-40 -72.08 -45.33 61.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.987 -0.551 . . . . 63.41 110.528 176.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 15.0 mmt180 -57.45 -36.02 70.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.901 -0.59 . . . . 72.22 111.156 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.53 ' O ' HG21 ' A' ' 79' ' ' VAL . 84.7 mt -67.03 -55.39 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.545 -0.298 . . . . 72.24 110.854 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 11.0 pt20 -63.84 -43.95 94.65 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.993 0.368 . . . . 72.14 111.993 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -68.62 -33.61 74.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.897 0.332 . . . . 71.41 111.897 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' O ' HG13 ' A' ' 82' ' ' ILE . 85.0 mtm180 -71.21 -21.51 62.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.841 -0.344 . . . . 74.24 111.058 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 75' ' ' LEU . 99.4 t -61.22 -33.2 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.533 -0.303 . . . . 73.43 110.602 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 53.0 p -64.06 -38.17 90.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.661 -0.245 . . . . 52.15 110.718 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.75 76.32 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.135 0.493 . . . . 54.3 110.228 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.896 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 76.9 mt -58.96 -51.21 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.341 176.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.677 ' HE1' ' HD2' ' A' ' 96' ' ' PRO . 21.0 ttt -71.04 -27.01 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.939 -1.028 . . . . 74.34 111.288 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -58.34 -41.15 84.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.845 -175.305 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 15' ' ' GLU . 59.0 t80 -64.59 -33.3 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.418 . . . . 74.0 110.684 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.34 -39.32 65.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.227 0.537 . . . . 74.04 110.491 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.5 -38.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 72.35 110.357 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.7 -40.52 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.982 -0.554 . . . . 74.12 110.717 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -85.97 5.25 34.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.378 . . . . 61.42 110.882 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.23 35.93 25.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.292 -0.867 . . . . 73.42 111.789 174.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -64.54 -35.27 80.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 72.44 110.775 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.92 -34.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.25 0.463 . . . . 71.42 112.25 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.13 50.91 12.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.866 0.841 . . . . 74.11 110.709 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.2 m -153.79 149.34 27.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.311 -0.859 . . . . 71.21 109.7 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.6 85.79 16.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.614 0.245 . . . . 75.41 111.528 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.677 ' HD2' ' HE1' ' A' ' 83' ' ' MET . 4.3 Cg_exo -80.66 -9.84 13.27 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.94 2.427 . . . . 73.13 111.906 173.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.456 ' HA ' ' CG ' ' A' ' 100' ' ' MET . . . -98.44 22.6 9.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 72.1 110.471 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 t -86.15 -51.57 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 65.21 110.748 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.9 -31.9 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.649 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.709 ' HB3' ' HB3' ' A' ' 54' ' ' SER . 4.3 ppp? -66.34 -27.02 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 74.54 111.704 -176.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.913 0.387 . . . . 64.44 110.251 178.374 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 p90 . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 109.398 -0.593 . . . . 74.14 109.398 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.506 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 6.5 m -47.94 132.13 15.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.873 -1.058 . . . . 65.34 112.411 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -55.7 -37.94 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.519 -0.764 . . . . 72.14 111.207 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -65.48 -44.96 85.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 73.24 110.237 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.506 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 4.9 m -59.87 -43.89 94.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 71.53 110.49 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.84 -38.23 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 74.41 110.788 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -63.38 -29.13 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 75.13 111.206 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -74.22 -37.1 63.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 75.03 110.898 177.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -55.25 -57.25 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.41 111.813 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.485 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 59.3 p-90 -75.28 -28.54 59.8 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.767 -0.373 . . . . 63.43 111.062 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -67.95 -41.94 81.72 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.639 0.237 . . . . 65.33 111.639 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.46 -3.84 9.63 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.935 0.346 . . . . 64.52 111.935 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -62.01 -26.18 68.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -122.89 103.96 8.95 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.396 -0.82 . . . . 72.12 109.809 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 tptt 72.62 110.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.919 0.762 . . . . 72.12 111.252 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -151.3 -37.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.697 -0.401 . . . . 75.11 111.711 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -63.91 -20.95 66.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.393 0.516 . . . . 65.14 112.393 -172.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -81.99 71.19 9.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.994 -0.743 . . . . 62.53 108.994 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.25 -25.19 68.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.799 -1.092 . . . . 70.42 111.922 -173.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.88 -42.83 62.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 60.12 110.455 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -75.88 -26.0 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 71.54 111.418 -177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.772 ' HA ' HG22 ' A' ' 31' ' ' VAL . 25.8 ttt85 -51.73 -36.69 47.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.159 0.429 . . . . 54.44 112.159 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m -61.14 -39.9 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.336 0.588 . . . . 72.34 110.664 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -80.78 -34.5 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.8 -0.636 . . . . 73.53 110.961 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 28' ' ' ARG . 17.2 m -74.21 -15.57 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 73.24 110.273 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.45 -54.18 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.361 -0.607 . . . . 73.35 109.361 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -71.4 -31.17 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.013 0.435 . . . . 74.24 110.4 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' CB ' ' HA ' ' A' ' 31' ' ' VAL . 26.1 t80 -61.11 -29.34 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.502 0.668 . . . . 74.42 110.143 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD22 ' HB ' ' A' ' 39' ' ' ILE . 3.3 tm? -60.02 -47.47 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.043 -0.98 . . . . 74.34 110.579 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 42.7 mt-10 -75.63 -29.99 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.869 -176.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.08 -18.6 36.39 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.536 0.569 . . . . 44.12 112.536 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -126.8 -59.23 1.28 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.466 0.543 . . . . 75.22 112.466 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.6 ' HB ' HD22 ' A' ' 35' ' ' LEU . 38.4 mm -67.95 -53.94 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.503 -0.317 . . . . 72.43 111.638 -170.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' HD2' HD12 ' A' ' 35' ' ' LEU . 43.6 m-85 -124.43 74.9 61.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 120.87 -0.332 . . . . 75.24 110.45 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 43.6 Cg_endo -72.2 -55.46 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.104 1.869 . . . . 72.43 112.688 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -104.53 -15.47 15.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.871 0.323 . . . . 74.14 111.871 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -104.36 12.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.823 0.305 . . . . 74.04 111.823 -174.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.14 7.46 44.54 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.909 -0.663 . . . . 44.33 112.806 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -99.99 -3.24 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.84 0.352 . . . . 74.13 110.813 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -91.18 132.79 35.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.042 0.448 . . . . 74.42 111.37 -176.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -79.74 152.52 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.755 -0.831 . . . . 71.03 108.755 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.83 -29.05 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.782 0.325 . . . . 61.54 111.551 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 5.4 ppt_? -83.75 2.37 38.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.815 0.341 . . . . 73.41 111.194 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -141.02 74.27 1.45 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.703 0.763 . . . . 65.32 110.425 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.78 161.81 13.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.05 -0.977 . . . . 71.3 109.964 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.9 161.05 16.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.351 -0.386 . . . . 75.42 110.45 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -163.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 61.4 109.927 174.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.522 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 4.3 m -48.83 -14.7 0.07 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.303 0.853 . . . . 74.52 113.303 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.59 -30.78 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.551 0.215 . . . . 71.23 111.065 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.579 HD23 ' HE2' ' A' ' 100' ' ' MET . 1.1 pt? -69.73 -15.96 63.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 71.32 110.647 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -77.37 -17.49 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 72.45 110.612 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB1' ' HD3' ' A' ' 59' ' ' PRO . . . -61.55 -50.61 81.8 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.564 -0.289 . . . . 73.11 111.525 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.685 ' HD3' ' HB1' ' A' ' 58' ' ' ALA . 31.9 Cg_exo -63.46 -33.59 68.34 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.846 1.697 . . . . 72.31 112.762 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.35 -23.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 75.04 110.69 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.773 ' HZ2' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.86 -24.05 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.26 -173.738 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -55.86 -32.27 63.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.343 -0.614 . . . . 64.44 109.343 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.21 -33.49 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.753 -0.658 . . . . 72.31 111.637 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.515 ' HB2' ' CB ' ' A' ' 69' ' ' HIS . 1.7 p30 -66.41 -34.96 79.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.066 -0.653 . . . . 61.31 110.394 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -82.04 -34.27 29.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.658 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.1 m -99.48 -41.29 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.293 0.479 . . . . 75.45 112.293 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . -114.99 43.31 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.961 -0.638 . . . . 75.32 112.868 -174.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HE3' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER 66.77 110.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.71 0.767 . . . . 71.24 112.534 176.457 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.515 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . 15.7 p80 -62.61 -24.71 67.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 64.35 110.472 176.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.2 -45.57 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.998 -0.546 . . . . 75.13 110.127 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.82 -45.83 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 50.31 110.371 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.98 89.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.824 -0.626 . . . . 64.23 111.978 -176.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.0 mm-40 -64.73 -49.06 72.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.814 0.34 . . . . 74.43 110.67 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.92 -31.47 70.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.174 0.511 . . . . 61.21 110.239 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 39' ' ' ILE . 5.1 tt -70.24 -51.83 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.663 -0.699 . . . . 73.32 110.505 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.584 HE21 ' HE3' ' A' ' 100' ' ' MET . 0.0 OUTLIER -65.21 -34.25 77.93 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.761 0.282 . . . . 71.32 111.761 -176.683 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.06 -27.04 65.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.177 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -26.01 61.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 71.15 110.678 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.0 -32.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.514 -0.551 . . . . 74.33 109.514 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 97' ' ' ALA . 40.7 m -61.68 -32.77 72.98 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.56 -0.746 . . . . 71.45 110.419 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.38 62.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.608 . . . . 71.24 110.573 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.433 HG12 ' NE1' ' A' ' 16' ' ' TRP . 50.9 mt -63.76 -41.04 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 74.22 110.154 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.656 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -62.65 -34.53 77.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.642 . . . . 74.33 111.135 179.047 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.67 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.256 -0.646 . . . . 74.51 109.256 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.35 -41.82 98.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.649 . . . . 74.3 110.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.654 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -62.88 -36.08 82.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 64.25 111.905 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 83' ' ' MET . 72.7 t -72.1 -44.95 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.571 0.224 . . . . 75.41 110.923 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -66.43 -34.92 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 72.1 111.059 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -89.37 10.56 22.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.448 -0.342 . . . . 74.02 110.724 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.97 59.1 4.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.478 -0.783 . . . . 61.51 112.795 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.654 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 48.6 m-85 -99.12 -42.35 7.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.029 -0.532 . . . . 73.52 109.657 171.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.9 pt -121.86 152.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 73.24 111.071 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.04 -29.5 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.316 0.579 . . . . 71.23 110.105 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.632 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 39.2 m -96.61 146.27 24.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.438 -0.801 . . . . 61.03 109.886 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.04 86.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.528 -0.305 . . . . 73.01 110.297 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.632 ' HD3' ' O ' ' A' ' 94' ' ' SER . 20.8 Cg_exo -65.27 -52.53 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.61 2.207 . . . . 73.21 111.725 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 80' ' ' THR . . . -85.26 67.65 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.989 -0.551 . . . . 71.44 110.275 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.7 t -98.12 -66.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.076 -0.712 . . . . 73.15 109.076 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -126.31 86.1 2.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.839 -0.801 . . . . 74.41 108.839 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.584 ' HE3' HE21 ' A' ' 76' ' ' GLN . 22.0 ptm -100.47 19.79 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.366 -0.833 . . . . 73.4 111.555 -171.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 120.97 0.414 . . . . 63.35 111.277 -177.402 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 111.947 0.351 . . . . 72.2 111.947 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -94.64 177.7 5.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.767 0.318 . . . . 75.54 111.293 -177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -34.95 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.052 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -38.5 86.8 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.894 -0.594 . . . . 62.02 109.936 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 m -58.35 -36.1 72.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.91 -0.587 . . . . 74.34 111.149 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.72 -47.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.452 . . . . 74.33 110.571 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -71.29 -28.88 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.831 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -62.65 -39.66 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 65.31 110.366 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.67 -59.42 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.967 . . . . 75.1 112.213 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.612 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 56.2 p-90 -79.62 -32.48 41.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.428 0.529 . . . . 73.02 112.428 -171.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.19 -34.96 75.71 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.326 -0.55 . . . . 64.24 111.478 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -78.44 -12.13 59.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.979 0.419 . . . . 65.21 110.837 -175.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 p -110.61 14.61 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.269 0.557 . . . . 70.13 110.034 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.404 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 6.0 t-20 -93.87 -153.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.653 -0.703 . . . . 72.52 109.875 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' H ' ' CG ' ' A' ' 20' ' ' ASN . 7.0 tmtm? -44.78 -57.69 3.56 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.541 0.736 . . . . 74.32 112.508 -173.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -147.32 143.76 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.343 -0.543 . . . . 74.43 111.705 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -55.81 137.37 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.083 -0.962 . . . . 73.4 110.483 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 m -133.78 16.05 3.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.608 -0.269 . . . . 72.32 110.978 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 8.4 pt-20 -46.42 -41.35 13.62 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.272 0.841 . . . . 65.53 113.272 -172.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 21.3 t70 -72.73 -51.89 17.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 71.21 111.12 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -70.93 -26.28 63.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.752 -0.658 . . . . 75.41 111.404 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -54.06 -34.9 61.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.243 -0.889 . . . . 73.24 111.282 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -60.55 -35.17 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.071 0.462 . . . . 71.31 111.112 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -74.09 -42.2 60.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 72.14 109.876 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 35' ' ' LEU . 47.5 t -64.93 -38.49 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.256 -0.884 . . . . 74.14 110.624 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.16 -50.04 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 70.43 110.222 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 33' ' ' ARG . 17.0 ttt85 -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.016 -0.538 . . . . 74.21 110.217 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.17 -50.35 72.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.724 -0.671 . . . . 74.4 110.812 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD23 HG12 ' A' ' 31' ' ' VAL . 4.3 pp -73.16 -36.4 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.022 0.378 . . . . 73.55 112.022 -173.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.578 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 79.4 mt-10 -71.49 -30.11 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 73.21 111.497 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 33' ' ' ARG . 8.7 mp -78.35 -46.3 20.38 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.178 -0.209 . . . . 64.12 111.515 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.68 -43.54 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.679 0.622 . . . . 73.45 112.679 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.594 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 41.9 mm -91.47 -22.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.676 0.274 . . . . 71.14 111.591 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.578 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 97.3 m-85 -120.35 57.94 5.65 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.487 0.551 . . . . 75.32 112.487 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.594 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 6.1 Cg_exo -79.22 -51.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.238 1.959 . . . . 72.51 111.372 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -103.21 -33.84 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.804 -0.635 . . . . 74.04 110.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 56' ' ' LEU . 38.5 pt -90.32 13.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.01 0.374 . . . . 73.45 112.01 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.8 -7.04 68.83 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.113 -0.565 . . . . 62.43 112.749 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -99.13 15.0 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.752 0.31 . . . . 73.02 110.732 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.7 m -88.32 135.17 33.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 63.41 111.228 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.46 ' OD2' ' HD3' ' A' ' 49' ' ' ARG . 17.3 t70 -88.09 155.82 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.71 -0.677 . . . . 75.15 109.597 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.8 tp -64.61 -21.66 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.975 0.417 . . . . 74.4 111.702 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HA ' ' CG2' ' A' ' 92' ' ' ILE . 7.2 mtp-105 -83.22 -0.6 50.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.574 -0.285 . . . . 70.43 111.64 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -148.91 75.98 1.32 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.745 0.783 . . . . 75.31 110.816 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -87.03 161.76 17.99 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.863 -1.062 . . . . 75.24 109.06 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HB2' HD22 ' A' ' 56' ' ' LEU . 12.6 mptt -115.95 176.05 5.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.291 0.567 . . . . 72.54 111.655 -173.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.7 p -85.4 -163.52 0.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.278 -0.873 . . . . 75.44 111.628 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.419 ' HA ' ' HE3' ' A' ' 100' ' ' MET . 3.0 m -54.3 -18.44 4.0 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.977 1.102 . . . . 73.13 113.977 -173.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -65.33 -26.05 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.398 . . . . 73.32 111.142 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.842 HD22 ' HB2' ' A' ' 52' ' ' LYS . 4.4 pp -72.75 -16.77 61.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.923 0.392 . . . . 74.43 110.907 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -86.92 -16.93 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 74.03 110.647 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -51.45 -50.52 76.08 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.799 -0.637 . . . . 62.21 112.488 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.0 Cg_exo -58.18 -38.05 92.87 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.869 1.713 . . . . 65.04 112.681 178.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.517 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.7 mp -67.71 -24.09 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.068 0.461 . . . . 73.13 110.93 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 8.6 tmtt? -57.98 -26.1 61.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 73.34 111.555 -174.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.079 0.399 . . . . 71.41 112.079 -176.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.0 p -74.33 -31.75 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 74.32 110.451 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -66.19 -45.12 81.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.825 -0.625 . . . . 51.1 109.743 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 m -68.0 -26.6 65.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 65.24 110.94 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -72.16 -3.91 26.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.786 0.327 . . . . 70.34 111.022 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.09 -14.4 26.12 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.828 -0.701 . . . . 62.13 112.604 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.921 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -95.21 77.41 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.557 0.694 . . . . 75.31 110.635 -177.478 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -72.9 -33.83 66.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.748 -1.114 . . . . 75.44 110.231 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 16.4 t70 -56.51 -53.44 57.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.217 -0.902 . . . . 74.43 111.917 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.12 -34.49 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.474 -0.33 . . . . 60.14 111.739 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -67.07 -50.54 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 65.12 110.079 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.99 -45.89 86.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.32 -0.855 . . . . 73.34 110.836 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 69.8 mtp180 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 74.02 111.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 79' ' ' VAL . 3.5 mm? -71.96 -39.2 69.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.978 0.362 . . . . 62.21 111.978 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 15.2 pt20 -67.0 -38.14 85.47 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.61 -0.436 . . . . 74.2 110.658 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 6.3 tp60 -73.07 -20.72 60.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.438 0.637 . . . . 73.44 110.558 175.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.3 tpt180 -72.44 -42.31 65.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 73.31 110.209 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 75' ' ' LEU . 61.3 t -61.94 -43.53 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.804 -0.634 . . . . 75.44 111.193 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.8 p -61.52 -36.25 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 64.52 111.021 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.9 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.948 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.612 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 69.2 mt -66.74 -42.43 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.439 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.758 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -60.21 -35.3 75.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 75.02 110.506 179.466 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -57.27 -41.53 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 75.43 111.114 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 64.7 m-85 -69.61 -29.94 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 75.52 111.328 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.51 61.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.132 0.491 . . . . 74.22 110.445 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' MET . 58.8 t -86.03 -34.65 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 72.04 111.264 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 85' ' ' TYR . 9.2 pt20 -59.54 -38.9 82.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.884 0.373 . . . . 73.43 111.056 -178.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 83.9 m-20 -88.8 -2.83 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 61.42 110.62 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 57.99 79.2 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.614 0.721 . . . . 72.14 111.266 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 89' ' ' ASN . 63.6 m-85 -106.66 -28.87 9.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.721 . . . . 73.11 110.233 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 49' ' ' ARG . 23.5 pt -133.61 144.23 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.705 -0.679 . . . . 73.14 110.32 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -89.75 -12.15 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 73.45 110.168 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 m -87.06 145.21 26.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 74.44 109.6 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -118.82 86.28 30.1 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.927 0.394 . . . . 61.04 110.147 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.47 -164.59 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.754 2.303 . . . . 52.52 111.078 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.746 ' HA ' ' SD ' ' A' ' 100' ' ' MET . . . 57.56 24.19 10.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.038 0.447 . . . . 74.43 111.371 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 m -97.45 143.59 28.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 73.23 110.253 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.38 20.86 11.87 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.924 0.765 . . . . 75.33 110.662 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.746 ' SD ' ' HA ' ' A' ' 97' ' ' ALA . 81.2 mtp -97.43 -44.49 6.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.771 -0.65 . . . . 74.35 109.405 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.597 -0.729 . . . . 64.42 109.921 177.179 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.207 0.527 . . . . 74.41 110.817 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -65.58 153.14 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 71.51 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.632 ' HZ ' HD12 ' A' ' 82' ' ' ILE . 30.2 t80 -51.85 -39.38 58.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.934 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.658 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 6.6 mm-40 -51.91 -40.85 61.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.245 -0.889 . . . . 71.14 112.096 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -57.66 -49.83 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.403 . . . . 73.2 111.551 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.457 HD11 HD13 ' A' ' 48' ' ' ILE . 58.9 mt -75.64 -31.56 23.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 62.53 110.76 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.33 82.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 72.33 111.472 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.658 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 9.5 mpt_? -68.32 -26.35 65.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.393 -0.367 . . . . 74.2 111.706 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.66 -56.2 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.276 0.36 . . . . 74.23 110.677 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.423 ' CZ2' HG12 ' A' ' 82' ' ' ILE . 64.7 p-90 -82.13 -36.42 27.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.244 0.461 . . . . 72.02 112.244 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -63.68 -27.73 69.42 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.109 0.781 . . . . 74.3 113.109 -172.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 57.8 mt-10 -76.18 5.1 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.46 -0.496 . . . . 72.43 111.913 -177.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -90.08 6.82 40.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.43 0.633 . . . . 73.25 109.597 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.12 25.15 1.66 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 74.52 110.439 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 22' ' ' ARG . 73.9 mmtt 70.37 -168.01 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.76 -0.654 . . . . 74.34 112.195 175.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 2.8 mpt_? 71.35 104.37 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.325 -0.852 . . . . 75.24 110.228 -172.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -68.2 -27.72 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 74.41 112.137 -174.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -76.23 107.39 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.024 -0.361 . . . . 73.32 110.024 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.694 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 mp0 -62.39 -27.44 69.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.547 . . . . 65.13 110.726 -174.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -51.17 -30.54 17.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.487 -0.779 . . . . 42.25 112.795 -170.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -27.28 61.91 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.322 0.489 . . . . 74.03 112.322 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.694 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -64.97 -23.5 67.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.677 0.251 . . . . 73.11 111.677 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 38.1 m -77.32 -37.23 52.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.029 0.442 . . . . 63.32 110.693 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -80.26 -38.94 29.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.111 0.411 . . . . 63.53 112.111 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 28' ' ' ARG . 35.0 m -63.18 -16.99 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 121.0 -0.28 . . . . 73.43 111.122 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' OE2' ' A' ' 10' ' ' GLU . 7.4 tt -57.4 -39.76 76.8 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.117 0.484 . . . . 71.15 109.888 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -59.32 -39.94 84.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 73.13 110.409 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -83.27 -38.77 21.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 75.43 110.081 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HG ' ' CG1' ' A' ' 39' ' ' ILE . 10.4 tt -60.29 -35.91 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.856 -0.611 . . . . 73.33 111.072 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -33.31 50.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.895 -0.593 . . . . 73.22 110.9 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.43 -27.04 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 75.1 111.438 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.92 -40.35 47.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.975 -0.557 . . . . 73.25 111.682 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.413 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 49.5 mm -95.89 -35.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.957 0.408 . . . . 65.02 110.588 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -119.8 82.49 27.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.403 -0.362 . . . . 75.3 110.596 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.63 -60.12 0.08 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 121.278 1.318 . . . . 41.25 111.574 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -109.2 -17.54 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.413 . . . . 50.3 111.002 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' LEU . 38.4 pt -88.59 14.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.612 0.597 . . . . 43.33 112.612 -169.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.31 5.45 9.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.889 -0.672 . . . . 42.44 113.316 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 p -106.18 5.92 30.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.076 0.438 . . . . 62.32 111.247 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -97.53 145.01 26.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.004 0.431 . . . . 65.33 110.932 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 149.28 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.57 . . . . 72.11 111.094 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.514 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 13.9 tt -77.52 -23.83 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.389 0.614 . . . . 71.31 110.152 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -78.25 -3.5 43.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 74.24 110.731 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -162.38 82.66 0.54 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.317 -0.624 . . . . 75.35 109.317 172.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.659 HD21 ' HE3' ' A' ' 83' ' ' MET . 14.5 tp -95.28 161.72 13.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.093 -0.503 . . . . 73.12 110.38 -176.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -111.46 174.88 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.001 -0.545 . . . . 74.2 111.966 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -162.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.387 -0.824 . . . . 71.04 112.56 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.06 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.274 1.212 . . . . 71.23 114.274 -170.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -67.23 -28.69 68.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 74.43 108.709 173.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 3.2 pp -68.18 -14.42 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.843 -1.071 . . . . 73.14 111.886 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.85 -27.9 65.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 -0.242 . . . . 75.42 111.613 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.1 -54.14 53.65 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.138 0.421 . . . . 72.11 112.138 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -61.43 -32.6 88.94 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.062 1.842 . . . . 72.42 112.835 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mm -71.05 -32.03 46.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 72.33 109.951 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.629 ' HB2' ' HZ1' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.79 -25.21 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.729 -0.669 . . . . 73.23 110.012 -176.823 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.08 -28.49 62.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.337 -0.847 . . . . 73.41 110.042 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.55 -36.42 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.733 -0.667 . . . . 73.44 111.646 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.94 -36.83 72.76 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.495 -0.482 . . . . 62.14 110.978 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 m -82.28 -44.45 16.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.207 -0.452 . . . . 74.23 112.117 -175.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.7 m -107.14 7.2 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.205 0.446 . . . . 73.04 112.205 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -138.89 4.0 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.783 -0.722 . . . . 53.13 111.777 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.634 ' HB2' HG13 ' A' ' 71' ' ' VAL . 46.3 mtpt -90.51 113.26 25.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.829 0.347 . . . . 64.34 110.328 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -59.6 -33.31 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.829 -0.623 . . . . 75.43 112.668 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.82 -44.18 42.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.86 0.362 . . . . 63.21 111.27 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 68' ' ' LYS . 8.4 p -65.41 -32.75 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.715 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.96 90.9 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.594 -0.275 . . . . 53.11 111.274 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -62.42 -44.13 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.404 0.621 . . . . 74.44 110.877 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 38.5 mtp180 -65.22 -32.29 73.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.431 -0.804 . . . . 73.4 110.624 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 3.0 tm? -69.37 -51.48 36.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.053 -0.521 . . . . 74.34 110.76 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 3.4 pt20 -63.88 -39.03 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 74.31 111.471 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -59.83 -28.93 67.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.199 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.557 ' O ' HG13 ' A' ' 82' ' ' ILE . 61.3 mtt180 -61.31 -36.04 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.211 -0.45 . . . . 75.25 111.046 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.62 -41.74 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.111 0.482 . . . . 65.44 110.598 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 m -65.28 -30.45 71.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 73.13 110.648 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 84' ' ' ARG . . . -74.15 -24.73 59.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 74.13 111.081 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.632 HD12 ' HZ ' ' A' ' 9' ' ' PHE . 67.4 mt -75.18 -36.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 73.33 110.6 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.659 ' HE3' HD21 ' A' ' 51' ' ' LEU . 24.8 mmt -57.72 -39.46 77.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.489 -0.778 . . . . 70.33 112.821 -173.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 16.6 ptm180 -57.64 -39.72 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.542 0.21 . . . . 72.01 111.42 -177.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -77.62 -30.45 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 74.11 110.773 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.79 73.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.955 0.407 . . . . 73.43 110.505 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.841 HG23 HD21 ' A' ' 95' ' ' ASN . 63.3 t -69.92 -14.82 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.902 -0.59 . . . . 74.32 111.547 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 14.7 mm100 -54.26 -40.53 67.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.853 0.359 . . . . 75.23 110.656 175.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -105.23 -16.73 14.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.021 -0.733 . . . . 73.12 109.021 171.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 44.9 t0 57.9 90.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.489 -1.232 . . . . 63.22 112.415 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -101.93 -10.41 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 71.11 110.072 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.704 HD11 ' H ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -99.88 -33.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.958 -0.564 . . . . 63.22 111.929 -173.422 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 63.3 26.69 15.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.401 0.619 . . . . 75.12 111.133 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -152.51 -14.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.709 0.633 . . . . 75.55 112.709 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.841 HD21 HG23 ' A' ' 87' ' ' VAL . 16.1 t-20 47.64 76.6 0.53 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.575 0.35 . . . . 71.41 111.297 -171.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.692 ' HD3' HG13 ' A' ' 92' ' ' ILE . 2.9 Cg_exo -76.51 -171.23 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.795 2.33 . . . . 61.2 112.002 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 64.94 3.18 2.0 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.67 -0.696 . . . . 75.25 111.478 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.6 p -77.31 -64.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.437 -0.579 . . . . 71.41 109.437 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.46 79.58 8.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.614 -0.884 . . . . 71.23 108.614 172.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -155.72 -52.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 71.31 108.963 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 71.41 108.949 174.278 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.843 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 21.6 p90 . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 122.198 0.999 . . . . 70.55 109.387 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -139.56 151.23 45.92 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.859 -1.064 . . . . 73.1 109.871 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -55.11 -42.39 72.88 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.377 0.423 . . . . 72.32 110.24 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.38 -38.6 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.815 -0.629 . . . . 75.14 111.451 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -63.07 -43.63 98.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.139 0.495 . . . . 72.05 110.585 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.96 -43.49 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.657 . . . . 75.4 110.438 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.515 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.95 -33.86 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.789 -0.641 . . . . 75.22 110.949 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -34.23 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 74.44 110.752 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.27 -59.02 5.97 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.088 -0.506 . . . . 62.04 111.527 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 50.5 p-90 -79.25 -24.39 43.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.728 -0.389 . . . . 74.23 110.843 -176.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.71 -31.03 69.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.503 -0.317 . . . . 71.41 111.166 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.16 -21.61 63.05 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.649 0.261 . . . . 74.1 111.046 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -60.92 -34.06 74.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.613 -0.267 . . . . 73.41 110.45 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' HB3' ' H ' ' A' ' 21' ' ' LYS . 26.5 m-20 59.14 -162.12 0.25 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.856 0.687 . . . . 72.12 112.856 173.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HB3' ' H ' ' A' ' 22' ' ' ARG . 9.6 tptp -145.44 -85.74 0.12 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.497 -0.774 . . . . 75.22 109.399 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 14.3 ttt-85 -106.51 178.89 4.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.25 -1.341 . . . . 72.31 108.784 174.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.422 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 5.5 m-90 -75.62 107.67 7.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.009 0.433 . . . . 75.14 111.434 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 70.7 m -157.01 33.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.209 -0.663 . . . . 72.32 109.209 175.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 3.6 tp10 -53.37 -49.67 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 74.31 112.696 -170.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.36 -31.05 68.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.114 0.483 . . . . 72.44 110.238 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -75.54 -24.12 56.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.281 -0.872 . . . . 64.31 111.12 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 1.4 mpt_? -49.52 -32.6 12.7 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.024 0.75 . . . . 74.52 113.024 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -61.85 -44.24 97.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 64.53 110.503 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -61.32 -38.69 87.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.057 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.67 -39.09 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.55 -0.75 . . . . 72.11 110.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.76 -40.72 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.956 -0.566 . . . . 71.34 109.682 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.5 mtt180 -65.98 -43.91 86.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.601 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.43 -40.56 87.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.15 110.606 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.806 ' HA ' HD13 ' A' ' 39' ' ' ILE . 3.4 tt -61.64 -42.13 98.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.775 -0.648 . . . . 54.32 109.645 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 4.3 tm-20 -65.98 -37.65 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.615 . . . . 74.21 110.371 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 33' ' ' ARG . 92.9 mt -71.71 -48.49 46.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.509 0.559 . . . . 73.22 112.509 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -98.87 -38.4 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.581 . . . . 72.42 112.57 -171.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.806 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.9 mp -83.73 -30.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 73.2 110.259 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.532 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 31.0 m-85 -116.77 56.38 1.57 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.596 174.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.81 -57.14 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.339 1.359 . . . . 73.24 112.661 -169.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -106.18 -22.64 12.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.488 -0.324 . . . . 70.42 111.057 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.506 ' HB ' HD12 ' A' ' 56' ' ' LEU . 2.6 pp -107.39 14.65 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.068 0.766 . . . . 74.44 113.068 -167.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.532 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -73.04 5.88 16.43 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.004 -0.617 . . . . 71.15 113.208 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 p -82.21 -11.31 58.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 65.51 111.347 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.5 m -92.63 132.55 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.211 0.529 . . . . 61.44 111.885 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.94 165.87 11.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 73.2 109.227 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.429 ' HA ' HD21 ' A' ' 51' ' ' LEU . 10.4 tp -60.76 -28.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.709 0.262 . . . . 74.24 111.709 -176.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.843 ' HD3' ' HE2' ' A' ' 7' ' ' TYR . 34.1 ttp180 -70.48 -21.63 62.75 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.011 0.434 . . . . 75.21 110.588 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -133.15 74.7 1.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.419 0.628 . . . . 64.24 109.831 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -97.06 140.17 31.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.405 -0.816 . . . . 74.21 110.053 -176.673 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.23 173.17 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.075 0.464 . . . . 37.66 111.088 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.61 HG23 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -92.6 -162.48 0.94 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.718 -0.674 . . . . 55.31 109.836 -178.696 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.61 ' H ' HG23 ' A' ' 53' ' ' THR . 6.2 m -56.96 -7.8 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.992 0.738 . . . . 74.05 112.992 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -67.1 -27.65 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 71.54 109.568 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.506 HD12 ' HB ' ' A' ' 43' ' ' ILE . 17.6 tp -66.06 -20.31 66.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.016 -0.993 . . . . 74.41 110.76 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HB2' ' HE1' ' A' ' 100' ' ' MET . 68.5 tp -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 70.11 111.429 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -50.43 -52.4 55.4 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.922 0.712 . . . . 72.34 112.922 -176.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.2 Cg_exo -61.82 -38.98 55.58 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.875 1.716 . . . . 73.1 112.969 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.569 ' O ' HG11 ' A' ' 63' ' ' VAL . 3.2 mp -72.39 -24.65 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.159 0.504 . . . . 63.03 110.298 -176.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -68.99 -24.42 64.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 64.31 109.602 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.95 -39.67 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 74.32 111.614 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 60' ' ' ILE . 8.3 p -71.49 -29.06 33.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.683 0.278 . . . . 74.02 110.688 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.54 -49.53 74.96 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.102 0.477 . . . . 63.42 109.793 175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -65.26 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 70.43 110.686 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -62.7 -40.36 96.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.169 -0.468 . . . . 64.5 110.53 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.62 -30.42 0.93 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.083 -1.056 . . . . 55.31 113.481 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.0 mtpt -96.42 82.72 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 61.45 111.282 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -73.8 -30.01 62.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.143 -0.935 . . . . 74.51 110.467 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.489 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 21.1 t70 -56.76 -47.68 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 73.32 111.695 -175.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.404 ' O ' HD11 ' A' ' 75' ' ' LEU . 52.6 t -59.59 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.456 . . . . 53.5 110.91 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.06 -45.14 79.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.106 -0.497 . . . . 71.14 111.517 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -62.83 -46.65 86.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.055 -0.521 . . . . 64.21 111.268 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.489 ' HD2' ' O ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -60.28 -32.76 71.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 65.31 111.609 178.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' O ' HG22 ' A' ' 79' ' ' VAL . 6.7 mp -63.72 -47.68 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.736 -0.211 . . . . 72.51 111.193 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -56.28 -43.69 79.09 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.578 0.704 . . . . 75.0 109.977 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.55 -39.74 73.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.186 -1.37 . . . . 75.44 111.112 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.454 ' O ' HG13 ' A' ' 82' ' ' ILE . 64.5 mtt180 -82.46 -23.58 34.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 74.35 111.61 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 75' ' ' LEU . 86.4 t -66.35 -45.97 88.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 64.1 110.386 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 t -69.55 -29.96 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 73.4 110.019 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.26 -31.92 73.2 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.045 -0.525 . . . . 53.33 110.479 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 78' ' ' ARG . 85.7 mt -76.24 -44.78 36.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 61.41 110.359 173.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.614 ' HG3' HD11 ' A' ' 92' ' ' ILE . 47.6 ttm -60.13 -35.94 76.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 74.44 112.404 -175.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.15 -31.24 70.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.415 0.15 . . . . 74.34 111.33 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -69.19 -40.77 77.88 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.086 0.47 . . . . 72.24 110.19 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 73.45 110.505 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.62 -33.6 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.077 -0.511 . . . . 70.24 110.492 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -63.97 -43.68 95.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.733 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -87.11 6.03 34.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.519 -0.31 . . . . 71.33 111.197 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.36 35.85 14.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.485 0.66 . . . . 62.01 110.987 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -76.3 -45.59 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.3 -0.629 . . . . 75.32 109.3 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.614 HD11 ' HG3' ' A' ' 83' ' ' MET . 37.8 pt -130.55 148.82 33.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.521 -0.763 . . . . 75.21 109.952 177.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -112.88 -22.89 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.242 0.544 . . . . 74.11 110.186 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 18.7 m -92.11 138.25 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 71.15 110.537 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -115.78 85.26 14.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.465 -0.334 . . . . 73.31 110.418 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 94' ' ' SER . 6.1 Cg_exo -79.0 -35.39 0.94 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.797 2.331 . . . . 41.44 112.878 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.07 -2.31 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.34 -0.391 . . . . 60.21 111.741 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -74.4 -10.0 59.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.38 . . . . 61.53 111.334 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -100.89 -4.14 28.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.049 0.452 . . . . 62.41 110.57 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.561 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 80.2 mtp -62.57 -39.19 92.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.972 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 64.14 111.039 179.483 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.24 -0.281 . . . . 73.42 110.24 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.18 -51.03 70.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.43 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -79.07 102.79 8.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.395 . . . . 74.23 109.998 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m -70.21 119.88 15.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 70.34 111.143 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.19 172.68 18.39 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.878 -0.677 . . . . 52.04 112.074 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.16 33.69 14.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.034 0.445 . . . . 62.55 110.96 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -88.91 5.62 43.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.525 0.678 . . . . 74.02 109.788 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 p -74.47 -179.31 3.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.069 -0.968 . . . . 72.21 112.902 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.697 ' HA ' HD11 ' A' ' 48' ' ' ILE . 14.0 t80 -57.74 -25.82 60.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.91 -1.041 . . . . 63.11 111.384 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.36 -54.91 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 62.41 111.774 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.6 m -73.08 -30.69 63.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.883 -0.599 . . . . 73.11 111.79 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.87 -34.31 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.996 0.427 . . . . 74.13 110.441 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.58 -31.9 72.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.222 0.534 . . . . 74.22 110.732 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.527 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 5.2 tmm_? -72.95 -34.6 66.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 72.2 110.056 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 55.5 mm-40 -56.58 -54.1 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.598 0.592 . . . . 74.13 112.598 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.761 ' HE1' HG12 ' A' ' 82' ' ' ILE . 38.1 p-90 -77.19 -24.99 51.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.34 -0.544 . . . . 75.13 111.073 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -67.02 -34.03 76.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.48 0.548 . . . . 72.43 112.48 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.83 -10.58 54.1 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.101 0.408 . . . . 73.41 112.101 -172.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 -4.46 56.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.277 0.561 . . . . 74.34 109.831 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 63.07 92.87 0.06 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.733 -1.121 . . . . 64.35 111.345 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 3.0 tmtp? -104.58 -35.15 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.603 -0.726 . . . . 74.51 109.545 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HG2' ' H ' ' A' ' 23' ' ' TRP . 26.7 ttt180 -141.33 169.0 18.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.458 -0.571 . . . . 72.34 109.458 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.445 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -102.07 -172.13 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.426 0.454 . . . . 73.24 111.645 -172.365 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.42 ' HB2' ' HE3' ' A' ' 23' ' ' TRP . 12.6 t 71.95 22.88 3.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.485 -0.78 . . . . 74.24 110.731 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -69.45 -27.23 65.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.658 . . . . 73.12 111.519 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.9 -39.27 77.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.943 -0.571 . . . . 60.14 111.19 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' O ' HG21 ' A' ' 31' ' ' VAL . 1.7 t-80 -76.13 -28.49 57.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 74.53 111.04 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 7.5 mmt180 -62.7 -23.6 67.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.422 -0.808 . . . . 73.02 112.245 -171.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -55.06 -47.63 74.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.721 0.296 . . . . 72.12 110.726 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -82.57 -42.08 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 73.24 110.855 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' HIS . 61.1 t -57.92 -22.25 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 115.875 -0.602 . . . . 73.21 111.775 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -50.56 -41.82 54.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.429 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.07 -48.78 79.1 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 74.4 111.298 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.99 -36.75 80.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 64.13 110.424 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 39' ' ' ILE . 1.9 tm? -67.12 -58.14 5.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.735 -0.666 . . . . 73.11 110.549 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 11.0 mm-40 -53.81 -39.54 65.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.94 0.4 . . . . 74.12 111.637 -175.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.11 -38.91 89.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.069 -0.514 . . . . 73.15 111.578 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.67 -22.06 18.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 74.52 112.493 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' A' ' 75' ' ' LEU . 8.2 tp -82.66 -30.72 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.466 -0.494 . . . . 54.32 110.28 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD2' HG22 ' A' ' 39' ' ' ILE . 8.6 m-85 -122.33 71.07 34.69 Favored Pre-proline 0 C--N 1.331 -0.209 0 N-CA-C 109.771 -0.455 . . . . 71.21 109.771 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.1 Cg_endo -81.6 -55.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.624 2.216 . . . . 60.41 112.231 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -101.91 -2.44 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.027 -0.533 . . . . 73.02 109.907 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 56' ' ' LEU . 37.1 pt -121.68 13.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.713 -0.676 . . . . 71.43 111.328 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.93 10.99 30.16 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.659 -0.781 . . . . 74.44 112.539 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -107.61 9.85 29.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.787 0.327 . . . . 65.14 111.186 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -116.67 157.29 25.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.809 0.338 . . . . 55.31 111.188 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.79 161.39 16.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 72.25 110.238 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 9' ' ' PHE . 9.4 tt -63.75 -26.66 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 74.42 111.158 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -87.12 7.69 26.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.39 -0.368 . . . . 73.01 111.117 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -141.3 71.91 1.37 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.806 0.813 . . . . 61.22 110.644 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 51' ' ' LEU . 3.2 mm? -95.37 162.07 13.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.114 -0.948 . . . . 65.04 109.643 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -123.4 176.48 6.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.541 -0.3 . . . . 73.03 111.037 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.811 HG23 ' H ' ' A' ' 54' ' ' SER . 2.1 m -72.9 -165.14 0.2 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.727 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.811 ' H ' HG23 ' A' ' 53' ' ' THR . 13.9 m -70.46 15.88 0.09 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.232 0.827 . . . . 54.44 113.232 -171.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' H ' ' C ' ' A' ' 53' ' ' THR . 59.5 m-70 -73.88 -28.44 61.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.839 -0.8 . . . . 73.14 108.839 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.544 ' HB2' HG22 ' A' ' 43' ' ' ILE . 3.3 pp -71.39 -13.69 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.933 -1.031 . . . . 74.2 111.792 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.8 tp -72.78 -17.52 61.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 71.12 111.204 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.85 -53.09 61.69 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.01 0.744 . . . . 74.25 113.01 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 25.0 Cg_endo -63.72 -28.21 68.56 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.744 1.629 . . . . 70.41 113.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.441 ' O ' HG11 ' A' ' 63' ' ' VAL . 42.8 mm -71.33 -24.78 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.728 0.775 . . . . 65.43 109.45 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 7.0 tmtm? -70.18 -24.24 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.305 -0.861 . . . . 53.11 109.73 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.14 -48.33 80.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 70.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.441 HG11 ' O ' ' A' ' 60' ' ' ILE . 9.6 p -71.74 -28.66 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.227 0.536 . . . . 71.44 110.274 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.804 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 2.9 t70 -57.24 -42.34 81.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 52.33 110.038 173.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -66.7 -24.86 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.508 -0.769 . . . . 75.42 111.824 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -72.15 -5.07 32.91 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.753 0.311 . . . . 75.51 111.626 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.62 -3.76 65.82 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.698 -0.763 . . . . 63.01 111.51 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.612 ' O ' HG21 ' A' ' 71' ' ' VAL . 9.6 mmpt? -98.88 26.21 5.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.125 -0.695 . . . . 75.12 109.125 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.804 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.1 p80 -51.15 -24.82 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.762 -1.108 . . . . 64.44 113.554 -171.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 17.1 t70 -64.86 -32.31 73.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.7 0.286 . . . . 73.43 110.979 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 68' ' ' LYS . 14.0 m -65.93 -32.78 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.557 -0.292 . . . . 72.03 110.922 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.47 82.2 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.951 0.405 . . . . 62.52 110.692 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.537 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.3 mm-40 -64.09 -44.1 93.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.746 -0.661 . . . . 72.02 110.719 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 20.8 mmt180 -60.96 -34.63 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 63.14 110.484 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.666 ' HB3' HD12 ' A' ' 39' ' ' ILE . 98.5 mt -73.51 -51.12 18.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 74.32 111.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.551 HE22 ' HB2' ' A' ' 101' ' ' ALA . 18.2 pt20 -58.66 -38.19 77.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 73.44 111.834 -175.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 27.4 mt-30 -53.28 -28.12 26.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 71.44 112.149 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.528 ' NH1' HD13 ' A' ' 35' ' ' LEU . 67.9 ttt180 -64.55 -53.89 40.84 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.935 -0.306 . . . . 74.41 110.827 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.507 ' HA ' ' HZ ' ' A' ' 9' ' ' PHE . 15.0 p -70.3 -35.46 62.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 121.004 -0.279 . . . . 72.11 110.802 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -64.18 -45.89 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.03 110.861 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.74 -50.01 54.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 64.31 111.176 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.761 HG12 ' HE1' ' A' ' 16' ' ' TRP . 61.9 mt -60.07 -40.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.356 . . . . 75.42 111.361 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.5 ttm -62.08 -29.06 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 73.32 110.95 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 27.0 mmt180 -68.73 -39.93 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.694 -0.23 . . . . 71.44 110.542 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -68.19 -34.21 75.85 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.627 -0.509 . . . . 74.41 109.627 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.651 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 75.14 111.191 177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 83' ' ' MET . 75.9 t -74.65 -34.4 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.238 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.82 -28.08 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 71.32 110.4 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -89.74 -5.78 56.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 75.13 110.314 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.382 -0.826 . . . . 62.33 112.892 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.651 ' CE2' ' HA ' ' A' ' 86' ' ' ALA . 52.8 p90 -98.35 -2.08 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.979 -0.689 . . . . 75.23 111.521 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.7 pt -114.31 -18.73 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.474 -0.33 . . . . 73.31 110.311 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 t70 71.16 -57.39 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.361 -0.836 . . . . 74.43 112.254 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.9 t -92.94 178.43 5.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.778 0.323 . . . . 70.11 110.534 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.436 ' OD1' ' HA ' ' A' ' 98' ' ' SER . 3.2 t-20 -124.75 86.58 55.79 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 116.324 -0.398 . . . . 72.3 110.047 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.94 -52.39 7.48 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.142 2.561 . . . . 72.54 113.007 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 100' ' ' MET . . . -100.71 84.61 2.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 52.41 110.379 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.436 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 14.9 t -77.67 -23.34 49.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.314 -0.857 . . . . 70.23 110.313 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -123.66 -66.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.927 -0.579 . . . . 64.41 110.064 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.623 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 58.42 86.39 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.528 -0.76 . . . . 70.34 111.386 178.285 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' HB2' HE22 ' A' ' 76' ' ' GLN . . . 58.83 45.6 15.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.621 -0.718 . . . . 74.22 111.644 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.83 131.22 15.46 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.826 -0.624 . . . . 73.42 111.832 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.49 98.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.229 0.611 . . . . 50.23 111.062 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -80.41 -58.55 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.839 -0.619 . . . . 71.11 110.059 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 t -151.96 -73.05 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.982 0.42 . . . . 71.33 110.277 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.8 p -96.51 102.03 13.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.162 0.506 . . . . 70.43 111.507 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -77.72 139.23 39.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.627 -0.715 . . . . 74.22 111.006 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -168.85 1.92 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.893 -0.41 . . . . 73.54 109.893 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.56 7.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.394 -0.366 . . . . 72.45 111.445 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.48 ' HA ' ' HD3' ' A' ' 110' ' ' ARG . 0.9 OUTLIER 55.21 74.13 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.597 0.713 . . . . 75.14 110.138 -174.261 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -87.58 110.62 20.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.243 -0.889 . . . . 74.04 109.541 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.6 t80 62.5 83.7 0.2 Allowed Pre-proline 0 C--O 1.234 0.258 0 O-C-N 123.658 0.599 . . . . 74.12 110.07 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.37 155.06 51.19 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.68 2.254 . . . . 71.44 112.461 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 30.3 tp -114.77 -14.69 11.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.214 -0.903 . . . . 55.41 109.224 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.83 42.62 0.24 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.082 -0.963 . . . . 73.23 112.469 -174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -127.8 -6.09 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.261 -0.274 . . . . 71.23 111.662 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -146.56 122.3 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.48 . . . . 74.31 110.398 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -153.0 119.77 5.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.694 . . . . 74.42 109.858 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -161.77 107.9 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.433 0.635 . . . . 71.3 110.609 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -176.44 124.86 0.18 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.268 -0.878 . . . . 62.31 108.974 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.402 -0.809 . . . . 75.33 110.157 -178.58 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.502 ' H1 ' ' HA ' ' A' ' 26' ' ' ASP . 25.7 ttt . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.33 0.586 . . . . 71.31 109.688 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 25' ' ' GLU . 1.2 mp0 -82.03 -16.79 48.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.876 -0.602 . . . . 73.52 110.63 -175.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -86.11 86.5 7.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.389 -0.597 . . . . 70.23 109.389 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.8 m -130.02 120.2 24.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.677 -0.692 . . . . 72.22 110.222 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.01 84.7 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.052 -0.594 . . . . 55.34 112.013 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.77 9.59 29.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.803 0.335 . . . . 62.33 110.488 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 61.75 21.53 12.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.732 -0.667 . . . . 65.04 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.753 HG22 ' H ' ' A' ' 9' ' ' PHE . 1.9 m -100.99 -170.43 1.84 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.305 -0.861 . . . . 71.53 109.05 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.817 ' HA ' HD13 ' A' ' 48' ' ' ILE . 56.3 t80 -48.87 -41.77 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.797 0.439 . . . . 75.12 111.723 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -64.3 -32.22 73.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.608 0.595 . . . . 74.01 112.608 -176.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.2 m -67.46 -43.06 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 73.14 111.024 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.44 -37.21 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.067 0.461 . . . . 54.51 110.193 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -61.0 -42.58 98.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 52.42 111.895 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 14' ' ' ARG . 2.4 ptm180 -72.41 -28.48 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.828 -175.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.26 -60.16 3.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.603 -0.726 . . . . 74.3 111.688 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.41 ' HE1' HD13 ' A' ' 82' ' ' ILE . 59.4 p-90 -80.98 -23.67 38.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.514 . . . . 74.04 111.283 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.637 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 2.0 t-80 -49.54 -27.99 5.03 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.83 0.678 . . . . 72.34 112.83 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.01 -42.73 72.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.082 0.468 . . . . 75.13 110.93 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.598 ' HB3' ' HB3' ' A' ' 115' ' ' GLU . 12.8 m -70.54 -22.84 62.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 65.04 110.909 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.472 ' C ' HD21 ' A' ' 20' ' ' ASN . 0.2 OUTLIER -83.95 -80.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 72.42 109.61 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tptt 177.69 143.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 73.55 109.988 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 73.67 115.78 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.482 0.919 . . . . 63.23 113.482 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 p90 -121.84 137.15 54.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.932 -1.031 . . . . 73.41 108.268 166.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 27' ' ' HIS . 50.9 m -153.13 54.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 74.31 111.407 -174.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 2' ' ' GLU . 29.5 mp0 -58.93 -35.16 72.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.235 -0.438 . . . . 75.14 111.512 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.502 ' HA ' ' H1 ' ' A' ' 1' ' ' MET . 25.8 t70 -64.83 -35.9 82.59 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.17 0.51 . . . . 74.14 110.79 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 24' ' ' SER . 13.3 m170 -75.14 -28.81 60.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 70.14 110.653 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.28 -32.14 10.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.215 -0.902 . . . . 73.13 112.544 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 t -65.89 -52.27 51.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.662 0.245 . . . . 74.52 111.662 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -83.94 -33.76 24.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.243 0.46 . . . . 73.13 112.243 -177.068 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.61 -20.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.716 0.293 . . . . 75.44 111.586 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.96 -26.77 16.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.17 -0.468 . . . . 70.44 111.786 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -56.08 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 74.32 110.295 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -71.92 -26.56 62.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.402 -0.363 . . . . 72.35 110.574 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD11 ' HB ' ' A' ' 39' ' ' ILE . 2.6 tm? -51.77 -54.38 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.778 -0.646 . . . . 72.13 110.446 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.76 -28.69 61.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.096 0.406 . . . . 73.3 112.096 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.38 -47.43 76.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.393 . . . . 71.53 111.785 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.467 ' HD1' ' H ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -114.98 -15.11 11.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 72.03 111.712 -175.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.501 HG22 ' CD2' ' A' ' 40' ' ' PHE . 48.9 mm -115.1 114.48 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.416 -0.957 . . . . 75.13 108.416 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 69.1 m-85 71.29 54.42 0.39 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.525 -1.216 . . . . 73.51 110.756 -174.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 23.8 Cg_exo -63.57 -57.83 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.535 1.49 . . . . 73.41 111.412 -176.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 -41.03 5.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.188 0.518 . . . . 72.52 110.694 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 40' ' ' PHE . 2.4 pp -78.77 15.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.047 0.758 . . . . 71.42 113.047 -172.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.567 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -66.18 -11.63 55.95 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.868 -0.682 . . . . 62.01 113.15 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 m -96.5 15.02 22.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.31 . . . . 65.1 111.136 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.532 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 18.9 m -107.99 140.74 40.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 74.31 111.35 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 9.0 t0 -74.09 148.41 41.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 75.23 109.644 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.817 HD13 ' HA ' ' A' ' 9' ' ' PHE . 11.7 tt -71.6 -28.09 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.014 0.435 . . . . 75.43 111.127 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 23.9 ptt180 -76.23 -21.52 56.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.457 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -132.15 77.38 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.525 0.678 . . . . 73.44 109.986 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tp -88.99 162.69 15.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.083 -0.962 . . . . 73.34 109.191 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.532 ' HE2' ' OG ' ' A' ' 46' ' ' SER . 3.6 mptp? -79.84 174.8 11.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 74.25 110.613 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.769 HG23 ' H ' ' A' ' 54' ' ' SER . 1.8 m -82.93 -162.6 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 73.2 108.733 173.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.769 ' H ' HG23 ' A' ' 53' ' ' THR . 3.0 m -49.56 -18.01 0.38 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.155 0.798 . . . . 75.54 113.155 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -55.77 -29.55 59.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.548 0.339 . . . . 73.52 111.256 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -65.07 -15.3 62.21 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.262 -0.426 . . . . 74.35 111.782 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.79 -14.81 59.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.333 . . . . 71.25 111.243 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -53.15 -52.61 64.15 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.887 0.699 . . . . 71.44 112.887 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 22.6 Cg_endo -63.11 -27.58 73.42 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 61.45 112.931 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.584 ' HA ' HG23 ' A' ' 63' ' ' VAL . 2.6 mp -69.08 -25.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.271 -0.64 . . . . 75.24 109.271 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 45.9 mmtt -70.54 -32.14 69.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.33 0.586 . . . . 74.43 110.484 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' OE1' ' HA ' ' A' ' 59' ' ' PRO . 37.5 mt-10 -67.74 -41.27 83.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.828 -0.624 . . . . 72.14 110.155 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 60' ' ' ILE . 33.5 m -77.82 -29.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 63.04 111.787 -178.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -42.19 64.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.615 -0.513 . . . . 71.31 109.615 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -66.84 -16.37 64.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.407 0.622 . . . . 62.52 110.22 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -81.71 4.5 21.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 72.53 110.995 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.45 2.54 27.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.316 -0.945 . . . . 74.14 113.003 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.737 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -104.98 65.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.243 0.544 . . . . 72.43 110.645 178.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -70.92 -49.71 42.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 74.34 111.031 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 3.8 m-20 -66.53 -40.94 89.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.029 0.442 . . . . 73.35 110.033 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.737 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 59.4 t -56.73 -43.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.29 -0.868 . . . . 74.4 111.554 -176.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -53.44 -57.17 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.313 . . . . 72.13 111.626 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -60.35 -48.05 83.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 73.11 111.179 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 42.7 mtp180 -60.23 -34.95 74.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 75.0 111.288 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 38' ' ' TYR . 6.3 mp -73.23 -48.74 32.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.814 -0.176 . . . . 73.42 111.344 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.514 ' HA ' HG12 ' A' ' 79' ' ' VAL . 17.0 pt20 -64.39 -35.35 80.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 75.23 111.202 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.13 -33.11 70.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.683 -0.69 . . . . 62.15 110.792 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.76 -40.1 19.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 75.22 112.09 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 76' ' ' GLN . 12.3 p -64.13 -34.11 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.893 0.331 . . . . 72.53 111.893 -174.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.8 t -71.0 -30.61 66.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.976 0.417 . . . . 62.42 110.401 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.77 71.86 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.256 -0.429 . . . . 37.18 110.418 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 9' ' ' PHE . 27.6 mm -59.73 -53.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.521 0.677 . . . . 63.43 110.119 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.626 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 49.8 ttm -63.18 -39.75 95.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.852 -1.067 . . . . 73.44 110.791 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -64.36 -36.71 85.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 62.33 111.148 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.059 0.457 . . . . 75.21 109.872 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.35 83.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 74.24 111.272 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 83' ' ' MET . 44.9 t -74.94 -33.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 62.21 110.633 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -60.89 -41.3 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.049 -0.723 . . . . 72.3 109.049 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -15.27 60.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.492 -0.776 . . . . 62.02 111.036 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 t70 64.25 29.83 13.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.058 0.932 . . . . 71.32 109.419 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -81.34 -32.68 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.988 -1.005 . . . . 74.54 110.712 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.71 -171.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 72.53 110.119 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -98.26 -43.14 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.291 0.478 . . . . 70.53 112.291 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -151.81 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.771 0.319 . . . . 70.31 111.021 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 1.029 ' HB3' ' HB2' ' A' ' 98' ' ' SER . 14.4 m120 -116.09 85.84 15.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 73.33 111.024 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.626 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 23.6 Cg_exo -64.85 -39.96 23.48 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.516 2.144 . . . . 44.4 112.302 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.406 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . -116.39 43.9 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.093 0.473 . . . . 72.21 111.034 -177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 1.029 ' HB2' ' HB3' ' A' ' 95' ' ' ASN . 8.2 t -76.49 -46.95 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.352 -0.611 . . . . 75.22 109.352 177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -111.49 88.0 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 52.51 109.821 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.406 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.1 ppp? -135.36 -15.44 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 74.32 111.024 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.65 111.88 23.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 62.14 111.438 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.67 171.39 30.37 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.867 -0.682 . . . . 62.22 111.919 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.4 92.17 4.21 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.893 0.378 . . . . 72.53 110.912 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 pp -100.84 -32.51 10.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.311 -0.404 . . . . 52.03 111.733 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.4 m -154.96 27.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 62.35 110.692 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.02 102.13 6.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.889 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.01 148.98 50.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.143 -0.48 . . . . 75.1 109.85 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.829 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -82.01 106.46 13.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 74.11 111.643 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.564 ' C ' ' HD2' ' A' ' 110' ' ' ARG . . . 177.99 37.59 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.51 -1.223 . . . . 71.23 110.259 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.564 ' HD2' ' C ' ' A' ' 109' ' ' ALA . 2.2 mpt_? -127.44 -168.76 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.539 -0.301 . . . . 73.41 111.226 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 63.63 80.12 0.24 Allowed 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.83 0.706 . . . . 75.22 110.63 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.21 114.1 16.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 72.41 111.109 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -80.39 145.74 16.97 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.43 2.087 . . . . 73.01 111.324 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 49.7 tp -143.28 -69.75 0.33 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.096 -0.502 . . . . 62.21 109.946 177.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' A' ' 19' ' ' SER . 8.1 tp10 -110.45 147.2 34.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -135.49 97.67 3.75 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.345 0.593 . . . . 72.43 110.806 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -75.97 96.25 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 73.33 109.86 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -110.32 143.68 40.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 84.2 t60 64.79 83.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.934 0.771 . . . . 74.14 110.519 -177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -95.84 99.76 11.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.235 -0.654 . . . . 74.42 109.235 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.547 -0.739 . . . . 73.53 109.98 -176.697 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.724 0.297 . . . . 53.42 111.416 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -68.46 -35.14 77.14 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.908 0.707 . . . . 61.33 112.908 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -65.15 101.42 0.53 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.88 0.372 . . . . 63.11 110.385 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 m -103.64 122.47 45.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.2 -0.454 . . . . 72.33 111.518 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.93 13.96 76.38 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.936 -0.575 . . . . 73.11 113.222 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.452 ' HB3' HG22 ' A' ' 11' ' ' THR . . . -101.13 102.12 12.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.772 0.32 . . . . 71.44 110.86 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -93.81 73.07 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.231 0.539 . . . . 74.41 110.139 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.566 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 18.9 m -119.87 150.23 40.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.628 -0.715 . . . . 74.52 110.427 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.66 ' HA ' HD11 ' A' ' 48' ' ' ILE . 37.5 t80 -50.75 -50.68 55.15 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.666 0.604 . . . . 74.13 111.515 -178.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -73.75 -31.87 63.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 63.32 111.631 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.566 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 16.1 m -65.17 -39.68 93.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.298 -0.41 . . . . 75.32 111.133 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.48 HD11 HD13 ' A' ' 48' ' ' ILE . 50.3 mt -72.37 -28.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.944 0.402 . . . . 71.41 110.433 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.25 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 74.1 111.844 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 15.1 ptm180 -76.85 -32.89 57.84 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.763 -0.375 . . . . 73.34 110.877 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -54.91 -53.35 56.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.728 -0.669 . . . . 73.31 111.92 -172.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -79.41 -26.19 41.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.47 -0.492 . . . . 74.24 111.346 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -75.08 -24.67 58.2 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.324 0.49 . . . . 71.33 112.324 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 37.0 mt-10 -63.83 4.45 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.716 1.006 . . . . 72.24 113.716 -174.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -74.0 -7.34 52.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.448 0.642 . . . . 72.31 109.474 168.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 70.53 91.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.586 -1.188 . . . . 75.3 112.044 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 58.9 mmtt -113.44 92.62 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.166 -0.924 . . . . 73.45 109.569 168.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.66 -73.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.459 -1.246 . . . . 54.31 112.134 -178.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -64.14 127.1 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 73.52 111.57 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.8 m -86.7 164.7 16.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.635 . . . . 73.41 110.578 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -33.38 74.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.669 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -56.01 -50.6 70.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 73.05 110.781 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -73.89 -27.74 61.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.698 -0.683 . . . . 73.42 110.705 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' NH1' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.06 -41.86 68.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.002 0.429 . . . . 75.51 110.11 175.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -75.81 -41.67 52.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 72.03 110.689 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -57.03 -51.67 68.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.505 . . . . 65.42 111.402 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.22 -14.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 74.41 112.165 -173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD12 ' NH1' ' A' ' 28' ' ' ARG . 52.6 tp -50.54 -37.45 39.44 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.823 0.675 . . . . 75.52 112.823 -172.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -61.5 -50.57 72.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.243 0.544 . . . . 73.03 110.176 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -70.98 -28.79 64.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 74.21 110.427 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.33 -51.74 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 72.43 110.582 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.3 pt-20 -72.75 -30.68 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.378 -0.529 . . . . 63.52 110.803 -177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.08 -23.77 63.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 74.42 111.013 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -100.56 -44.86 5.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 72.21 111.085 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.608 HD11 HD11 ' A' ' 75' ' ' LEU . 69.2 mt -96.69 -29.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.129 0.418 . . . . 74.51 112.129 -173.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.481 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 93.8 m-85 -120.27 68.53 13.93 Favored Pre-proline 0 CA--C 1.534 0.33 0 O-C-N 122.024 -0.423 . . . . 73.54 111.841 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 3.2 Cg_exo -74.94 -57.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.628 1.552 . . . . 75.33 111.663 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -105.49 -28.19 10.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.524 . . . . 65.04 110.953 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.2 pt -87.04 8.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 112.523 0.564 . . . . 74.12 112.523 -168.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -81.49 -5.21 90.12 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.691 -0.766 . . . . 70.01 111.989 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 p -85.59 -11.74 53.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.405 . . . . 65.51 110.666 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -69.19 140.93 54.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.842 -0.617 . . . . 71.3 110.826 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -96.5 150.14 20.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 9' ' ' PHE . 16.3 tt -67.48 -19.56 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.006 0.432 . . . . 64.53 111.234 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.64 -31.84 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.974 0.416 . . . . 75.44 110.416 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.25 89.44 2.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.413 -0.588 . . . . 74.41 109.413 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.74 161.54 13.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.918 -0.583 . . . . 63.02 109.629 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -105.93 172.47 6.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.106 0.479 . . . . 72.42 111.577 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.601 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -87.01 -160.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 74.13 111.653 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.502 ' H ' ' HB ' ' A' ' 53' ' ' THR . 4.6 m -59.11 5.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.213 1.19 . . . . 75.32 114.213 -172.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' THR . 61.8 m-70 -69.33 -29.58 67.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.415 0.626 . . . . 74.14 109.601 175.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 53' ' ' THR . 3.2 pp -77.14 -12.5 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.446 -0.797 . . . . 71.23 111.248 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB2' ' HG2' ' A' ' 100' ' ' MET . 61.0 tp -70.47 -26.48 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.44 111.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.65 -50.94 84.11 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.041 0.386 . . . . 74.41 112.041 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.4 Cg_exo -50.15 -47.66 23.05 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.675 2.25 . . . . 74.33 113.574 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 HG22 ' HB3' ' A' ' 76' ' ' GLN . 47.5 mm -63.68 -33.49 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.624 0.726 . . . . 74.21 110.101 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 57.9 mmtt -69.98 -23.41 63.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.26 -0.882 . . . . 75.21 111.906 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' OE2' ' HA ' ' A' ' 59' ' ' PRO . 55.0 mt-10 -54.24 -38.91 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.177 0.513 . . . . 72.1 110.044 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.74 -48.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 73.04 110.247 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.26 -37.31 62.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.075 -0.966 . . . . 74.1 111.337 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.3 m -63.98 -38.42 91.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.986 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 -41.7 72.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.604 0.716 . . . . 74.0 109.397 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 -146.31 14.29 Favored Glycine 0 N--CA 1.43 -1.728 0 N-CA-C 108.852 -1.699 . . . . 64.44 108.852 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 54.03 30.8 12.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.211 0.529 . . . . 73.02 111.018 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -61.42 -33.71 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.305 -0.861 . . . . 75.0 111.59 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.98 -53.16 22.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.768 0.318 . . . . 72.12 110.835 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.36 -34.48 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.099 -0.5 . . . . 71.04 110.771 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.44 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.665 0.269 . . . . 75.2 110.705 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -62.0 -43.64 98.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.163 0.506 . . . . 61.44 111.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 20.1 tpt180 -64.57 -38.49 91.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.112 -0.495 . . . . 64.34 111.1 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.608 HD11 HD11 ' A' ' 39' ' ' ILE . 3.3 mm? -73.7 -43.95 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.206 0.447 . . . . 74.24 112.206 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.898 ' HB2' ' HE3' ' A' ' 100' ' ' MET . 16.7 pt20 -56.67 -34.48 67.42 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 74.4 110.966 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -52.78 -23.77 7.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.984 -1.007 . . . . 73.13 112.45 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' O ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -60.2 -34.07 73.12 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.114 0.483 . . . . 54.1 110.405 179.374 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.86 -40.19 78.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 74.11 109.773 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -66.85 -34.51 77.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.573 -0.739 . . . . 70.53 110.674 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 74.35 110.602 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 78' ' ' ARG . 46.8 mm -61.67 -41.96 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 61.35 110.294 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.893 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 4.7 mmt -57.94 -33.02 68.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 73.44 111.483 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -60.95 -58.88 6.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.995 -0.372 . . . . 72.35 109.995 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.74 -34.76 78.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 75.45 110.505 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 64.43 111.553 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 95' ' ' ASN . 61.2 t -72.05 -32.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.359 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -66.14 -24.42 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.769 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.427 ' HB3' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -76.34 -3.7 38.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.635 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 66.01 25.99 10.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.385 0.883 . . . . 74.22 113.385 170.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.462 ' HD1' HG23 ' A' ' 92' ' ' ILE . 31.8 p90 -103.93 -10.14 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.655 -0.818 . . . . 74.24 111.345 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.462 HG23 ' HD1' ' A' ' 91' ' ' TYR . 17.8 pt -140.51 142.47 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 45.44 110.552 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.35 87.24 2.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.081 0.467 . . . . 72.21 110.676 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.0 m -161.4 -52.0 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.465 -0.789 . . . . 74.03 109.966 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.506 ' HA ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER 60.6 79.28 0.29 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.398 -0.819 . . . . 74.14 110.86 -176.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.62 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 5.6 Cg_exo -78.91 -167.41 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.066 2.51 . . . . 52.05 111.394 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.13 6.82 3.72 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.711 -0.677 . . . . 74.42 111.959 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 p -66.26 -41.41 89.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.069 0.462 . . . . 73.53 111.024 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -90.57 -7.57 52.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 75.14 110.094 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.898 ' HE3' ' HB2' ' A' ' 76' ' ' GLN . 1.7 tmt? -73.38 -51.43 17.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 61.43 110.02 -177.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.84 76.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.971 -0.559 . . . . 52.31 109.558 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.95 -156.88 9.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.804 -0.712 . . . . 70.41 112.615 -177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.47 89.68 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 71.01 110.952 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -109.0 -73.73 0.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.213 -0.662 . . . . 74.11 109.213 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.1 t -107.21 17.42 22.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 75.52 109.805 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -142.47 172.54 12.56 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.454 -0.794 . . . . 72.24 109.408 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.4 m 72.17 155.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.078 0.861 . . . . 73.35 111.388 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.16 77.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.212 -0.904 . . . . 74.23 111.709 -176.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.59 -63.4 1.4 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.326 -0.99 . . . . 72.3 108.326 172.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 44.21 74.71 0.12 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.852 -1.067 . . . . 72.03 111.444 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -164.54 88.72 0.5 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.056 -0.975 . . . . 74.44 108.741 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 48.3 t80 -161.31 125.49 2.01 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.793 -0.639 . . . . 72.14 109.965 -173.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 2.9 Cg_exo -71.77 99.97 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.455 2.103 . . . . 75.03 110.707 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.7 HD21 ' H ' ' A' ' 114' ' ' LEU . 2.5 pt? -99.35 4.18 46.26 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.217 -0.901 . . . . 72.11 111.126 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.11 152.55 20.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 74.03 111.752 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -146.82 169.83 18.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 75.24 110.348 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -136.69 147.08 46.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 72.42 109.828 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -96.59 123.58 40.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.987 0.422 . . . . 74.44 111.283 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -132.87 100.78 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.868 -0.79 . . . . 63.45 108.868 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -98.4 111.2 23.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.015 -0.539 . . . . 74.14 110.931 -172.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 118.133 -0.937 . . . . 75.43 110.508 179.486 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.836 0.351 . . . . 74.35 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.75 112.75 24.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.251 0.548 . . . . 55.24 110.644 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.05 20.99 14.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 73.41 110.575 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 t -62.51 -72.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 73.31 109.716 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.61 -39.16 9.04 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.126 -1.189 . . . . 64.0 110.126 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.79 92.88 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.417 0.687 . . . . 62.25 112.176 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -81.53 43.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.579 -0.737 . . . . 74.43 110.189 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 m -103.99 143.08 33.35 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.675 -0.693 . . . . 72.31 110.285 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.821 ' HA ' HD13 ' A' ' 48' ' ' ILE . 54.1 t80 -58.8 -37.7 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 72.0 110.602 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 27.9 tt0 -66.22 -46.22 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 74.34 111.826 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -62.04 -39.6 92.9 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.417 0.525 . . . . 71.43 112.417 -173.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.633 HD13 HD12 ' A' ' 48' ' ' ILE . 59.6 mt -74.17 -36.0 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.869 0.366 . . . . 74.15 110.448 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.18 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.947 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.3 mtt180 -55.87 -46.49 78.26 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.091 -0.504 . . . . 75.25 111.218 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -58.25 8.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 64.3 112.082 -165.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -75.24 -33.92 61.36 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.312 -0.404 . . . . 74.01 111.427 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -72.45 -27.98 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.988 0.366 . . . . 71.24 111.988 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.1 mt-10 -68.1 1.0 3.06 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.021 0.378 . . . . 75.04 112.021 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -67.22 -24.15 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 71.52 109.234 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.68 90.1 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.089 -0.96 . . . . 64.24 108.786 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -156.17 145.43 20.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 75.45 111.191 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -163.15 81.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.035 -0.53 . . . . 75.2 110.117 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 44.82 57.18 4.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.411 -0.813 . . . . 75.22 112.591 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -115.22 17.76 16.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.402 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.1 tp10 -69.55 -40.18 76.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.773 -0.649 . . . . 74.13 111.87 -172.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.12 -50.09 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.849 0.315 . . . . 65.0 111.849 -172.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -74.8 -26.86 60.03 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.487 -0.485 . . . . 72.21 111.555 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.765 ' HA ' HG13 ' A' ' 31' ' ' VAL . 3.7 ppt_? -72.61 -24.29 61.05 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.541 -0.464 . . . . 75.23 110.42 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.0 m -70.23 -28.07 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 36.7 110.625 175.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 30' ' ' ARG . 32.0 mtt180 -82.13 -48.86 10.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.371 0.605 . . . . 64.34 109.996 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.765 HG13 ' HA ' ' A' ' 28' ' ' ARG . 8.9 p -67.95 -13.08 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.361 -0.836 . . . . 74.23 111.155 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 36.9 tp -50.65 -32.56 19.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.098 -0.501 . . . . 55.44 111.462 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -55.83 -43.68 77.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.166 0.508 . . . . 65.23 110.802 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -68.59 -40.44 80.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.555 -0.748 . . . . 74.43 110.14 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.91 -51.45 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 73.35 110.255 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 49.2 mt-10 -59.32 -41.97 90.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 75.1 111.444 -178.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 tp -70.83 -36.66 73.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.479 . . . . 70.23 112.281 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -96.39 -26.88 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.412 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 49.0 mm -92.25 -31.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.737 -0.385 . . . . 71.31 111.081 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -128.9 61.99 59.31 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 72.12 111.18 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.9 Cg_endo -80.22 -58.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.948 1.765 . . . . 73.21 112.506 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -107.83 -2.85 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 75.33 110.585 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 HG21 ' HG2' ' A' ' 59' ' ' PRO . 27.0 pt -123.6 13.45 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.982 0.734 . . . . 60.41 112.982 -166.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.4 -9.24 72.83 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.672 -0.775 . . . . 53.45 113.404 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 p -90.67 8.64 33.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.766 -0.255 . . . . 71.05 111.683 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -93.47 151.47 19.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.722 0.296 . . . . 62.13 111.542 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.643 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 17.5 t70 -87.96 160.73 17.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 74.04 109.999 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.821 HD13 ' HA ' ' A' ' 9' ' ' PHE . 15.3 tt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 112.466 0.543 . . . . 74.45 112.466 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.643 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 35.5 ptt-85 -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.149 -0.62 . . . . 73.1 111.016 -175.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -146.23 80.05 1.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.525 0.679 . . . . 74.42 109.216 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.38 150.91 33.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.24 -0.891 . . . . 74.4 109.681 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -97.56 175.3 6.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.898 0.38 . . . . 73.52 111.541 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -163.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 62.11 112.287 -176.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 6.9 m -65.56 4.7 0.52 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.599 -0.728 . . . . 73.32 112.517 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -63.6 -28.02 69.64 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 108.244 -1.021 . . . . 74.31 108.244 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.09 -17.34 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.255 -1.339 . . . . 75.44 110.979 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.479 ' HG ' ' HD3' ' A' ' 61' ' ' LYS . 50.7 tp -80.38 -22.67 41.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 72.11 112.065 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB1' ' HD3' ' A' ' 59' ' ' PRO . . . -49.91 -51.64 59.22 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.008 0.744 . . . . 71.13 113.008 -175.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.617 ' HD3' ' HB1' ' A' ' 58' ' ' ALA . 47.4 Cg_exo -59.4 -38.47 83.86 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.101 1.867 . . . . 74.41 113.086 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.634 HG21 HE21 ' A' ' 76' ' ' GLN . 3.0 mp -66.09 -28.0 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 74.33 110.158 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.616 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 2.3 mmmp? -69.37 -29.52 67.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.899 0.857 . . . . 43.33 109.698 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.13 -29.51 65.34 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.395 -1.275 . . . . 74.03 109.88 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.99 -47.07 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 72.11 111.111 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.746 ' HB2' ' HA ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -63.71 -35.16 79.64 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.498 -0.319 . . . . 72.1 110.862 -176.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.9 m -63.5 -21.62 66.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.031 0.443 . . . . 73.43 111.221 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 m -76.21 -9.55 58.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.424 -0.353 . . . . 73.45 111.054 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.14 -45.36 1.08 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.454 -0.879 . . . . 44.45 113.023 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.68 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -81.86 78.97 8.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.644 0.735 . . . . 72.44 111.457 -176.406 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.746 ' HA ' ' HB2' ' A' ' 64' ' ' ASP . 33.5 t-80 -73.48 -48.98 29.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.701 -1.136 . . . . 74.01 111.377 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.11 -45.25 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 64.3 112.584 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.68 HG11 ' HB3' ' A' ' 68' ' ' LYS . 9.8 p -60.36 -33.91 55.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.694 0.283 . . . . 74.35 110.672 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.61 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.974 0.416 . . . . 51.14 110.352 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -65.51 -44.72 86.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 64.04 111.056 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.66 -39.35 91.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 70.32 110.481 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 71' ' ' VAL . 7.2 mp -74.1 -46.31 43.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 74.3 112.199 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.634 HE21 HG21 ' A' ' 60' ' ' ILE . 3.0 pt20 -61.25 -36.16 79.22 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.022 0.379 . . . . 74.41 112.022 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -20.3 2.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.662 -0.699 . . . . 75.34 112.459 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.8 ptp180 -58.04 -33.01 68.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.788 0.292 . . . . 72.22 111.788 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 76' ' ' GLN . 35.3 m -59.89 -35.74 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 53.44 111.48 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -69.28 -37.41 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.46 . . . . 74.32 110.198 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.32 79.83 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.894 -0.594 . . . . 72.2 110.411 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 78' ' ' ARG . 42.8 mm -58.54 -50.48 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.99 -0.55 . . . . 74.21 110.095 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.731 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 24.0 mmt -60.08 -39.09 84.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 75.13 111.134 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -61.17 -46.53 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 75.22 110.956 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -73.17 -41.03 64.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.907 0.384 . . . . 70.12 110.802 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.511 ' HB3' HG21 ' A' ' 92' ' ' ILE . . . -62.71 -38.22 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 62.32 111.718 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.524 ' HB ' HD12 ' A' ' 92' ' ' ILE . 5.5 p -72.14 -31.78 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.21 0.528 . . . . 75.41 110.0 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.11 69.72 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.254 -0.884 . . . . 74.41 110.216 -176.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -98.38 12.9 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.438 -0.801 . . . . 64.23 110.757 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 62.22 30.22 17.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.431 0.53 . . . . 74.43 112.431 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -86.57 -49.02 7.85 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.766 -0.374 . . . . 74.51 111.816 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.581 HG22 ' HA ' ' A' ' 49' ' ' ARG . 39.1 pt -88.29 163.85 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 64.44 112.206 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.79 -59.01 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 63.52 111.007 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.436 ' O ' HD11 ' A' ' 92' ' ' ILE . 1.7 p -131.84 173.67 10.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 51.42 110.77 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.51 88.16 7.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 75.31 111.558 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 94.9 Cg_endo -87.27 -171.34 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.775 2.317 . . . . 71.23 111.397 174.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.668 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 70.79 -2.44 2.28 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.475 0.546 . . . . 70.31 112.475 175.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 53.11 110.616 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.09 15.02 10.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.878 0.847 . . . . 72.2 109.027 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.668 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 23.8 ttt -71.11 -31.62 68.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.275 -0.875 . . . . 72.34 110.657 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.29 134.83 54.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.827 -0.624 . . . . 72.11 110.055 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.9 -135.77 1.88 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.428 -0.891 . . . . 64.41 112.801 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.1 81.73 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.135 0.493 . . . . 70.22 111.823 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 pp -136.49 -6.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.747 -0.66 . . . . 75.13 110.382 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.5 m -112.88 -7.35 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.811 -0.631 . . . . 74.33 110.204 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -99.95 105.13 16.8 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.669 -0.696 . . . . 72.1 110.944 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.02 143.81 38.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.99 -0.55 . . . . 75.42 110.489 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt 179.67 178.11 0.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.311 -0.859 . . . . 74.33 109.322 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.49 -69.1 0.06 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.045 -0.525 . . . . 74.03 110.698 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 179.72 156.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.781 -0.822 . . . . 75.34 108.781 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 74.78 89.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.685 0.615 . . . . 73.35 111.3 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -116.05 115.44 40.78 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.576 -0.738 . . . . 75.11 109.115 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.433 ' HB2' ' HB2' ' A' ' 116' ' ' HIS . 1.0 OUTLIER -76.76 107.24 2.4 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.479 2.119 . . . . 70.11 112.272 -176.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 tp -75.53 -36.17 60.55 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.222 -0.899 . . . . 71.14 110.594 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -86.86 34.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 45.22 111.059 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 113' ' ' PRO . 53.5 t-80 -122.14 92.45 3.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.239 -0.437 . . . . 73.32 109.857 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -101.87 83.47 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.307 0.575 . . . . 73.51 110.967 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 53.2 t60 178.97 121.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.329 -1.36 . . . . 74.4 107.329 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -82.85 76.24 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.399 -0.52 . . . . 73.51 111.49 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -177.74 107.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.238 -0.892 . . . . 72.14 109.838 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.003 -0.999 . . . . 70.33 109.202 177.174 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.624 -0.51 . . . . 72.11 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.61 . . . . 72.42 111.081 -174.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.88 138.51 33.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.64 . . . . 74.22 109.664 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 68.04 -152.27 0.17 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.705 0.628 . . . . 71.54 109.603 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.62 -52.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.461 -0.876 . . . . 72.33 112.046 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.59 90.88 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.167 -0.308 . . . . 62.44 110.167 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -74.4 94.03 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.122 0.487 . . . . 72.02 110.231 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.689 ' HB ' ' OE1' ' A' ' 10' ' ' GLU . 1.2 m -115.55 -177.03 3.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.764 -0.653 . . . . 70.24 110.064 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.672 ' H ' HG21 ' A' ' 8' ' ' THR . 72.0 t80 -55.49 -42.54 74.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.676 0.39 . . . . 75.21 111.613 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.689 ' OE1' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -72.26 -31.75 66.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 71.14 111.99 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 72.02 110.902 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.48 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 71.14 110.392 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.55 86.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.564 -0.744 . . . . 63.03 111.288 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.341 . . . . 64.41 111.74 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.32 -56.57 15.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.075 -0.512 . . . . 52.13 111.395 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' HE1' ' HA ' ' A' ' 82' ' ' ILE . 66.2 p-90 -79.55 -32.05 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.729 -0.389 . . . . 75.24 110.854 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -61.52 -35.47 77.8 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.662 0.616 . . . . 71.14 112.662 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.28 -17.2 62.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.05 0.389 . . . . 75.32 112.05 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.5 m -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.281 0.562 . . . . 74.31 110.122 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -113.68 76.41 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.263 -1.014 . . . . 71.04 108.263 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 2.0 tmtp? -98.84 140.19 33.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.54 -0.754 . . . . 72.14 110.844 -170.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 27.0 ttm180 -98.34 160.38 14.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.847 -0.427 . . . . 65.44 109.847 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -43.31 -73.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.058 1.133 . . . . 73.12 114.058 -167.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.2 p -99.71 115.3 29.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 71.42 112.033 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -26.65 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 74.1 111.276 177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.53 -36.16 83.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.439 . . . . 72.02 110.847 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -74.21 -28.28 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 72.24 110.14 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 24' ' ' SER . 16.3 mmp_? -66.79 -31.39 71.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.089 -0.505 . . . . 71.22 109.668 174.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -62.06 -33.97 75.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.052 -0.522 . . . . 62.42 110.829 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -69.36 -37.23 77.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.957 -0.757 . . . . 72.31 108.957 176.467 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 t -69.89 -21.87 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 73.42 110.321 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.91 -39.24 88.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.237 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -71.38 -40.56 70.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 74.21 110.734 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.58 -43.92 80.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.135 -0.484 . . . . 74.25 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 39' ' ' ILE . 51.8 tp -63.77 -50.62 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 64.51 110.468 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -51.73 -49.47 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 75.42 111.961 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.67 -17.73 64.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.47 0.545 . . . . 73.21 112.47 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -111.07 -23.86 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.075 0.768 . . . . 75.21 113.075 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.502 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 11.2 tp -92.92 -19.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.628 -0.429 . . . . 75.3 110.089 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.829 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 40.8 m-85 -124.11 53.98 7.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 111.899 0.333 . . . . 74.33 111.899 176.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 56.3 Cg_endo -98.85 -59.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.834 1.689 . . . . 63.55 112.983 176.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -106.19 -41.36 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.23 0.538 . . . . 74.35 110.312 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 HG22 ' HB2' ' A' ' 56' ' ' LEU . 36.9 pt -91.86 -10.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.518 -0.765 . . . . 73.52 111.444 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.829 ' HA3' ' HA ' ' A' ' 40' ' ' PHE . . . -87.0 21.52 19.53 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.705 -0.76 . . . . 71.12 113.071 -174.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 p -89.05 0.12 56.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.268 0.556 . . . . 75.11 110.507 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 m -114.12 172.91 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 72.53 110.612 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.1 158.62 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.402 -0.592 . . . . 63.12 109.402 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.89 -25.38 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 120.947 0.403 . . . . 74.01 110.837 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 41.6 ttp-105 -72.69 -20.84 61.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.323 -0.398 . . . . 74.33 110.908 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -133.78 72.08 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.279 0.561 . . . . 71.22 110.015 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -97.42 149.96 21.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.659 -0.7 . . . . 70.33 110.346 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 3.5 mptp? -94.63 170.57 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.584 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.867 ' HA ' ' HB2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -79.38 -163.11 0.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 62.11 111.034 -178.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.627 ' H ' HG21 ' A' ' 53' ' ' THR . 16.3 m -62.01 3.49 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.815 0.672 . . . . 65.42 112.815 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -59.34 -31.65 69.38 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.466 -0.568 . . . . 73.24 109.466 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 pp -75.25 -14.91 60.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.433 -0.803 . . . . 73.04 111.31 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.78 -24.48 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 74.43 110.933 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.686 ' HB1' ' HD3' ' A' ' 59' ' ' PRO . . . -64.11 -52.95 51.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.546 -0.297 . . . . 73.32 111.271 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.686 ' HD3' ' HB1' ' A' ' 58' ' ' ALA . 89.0 Cg_exo -53.81 -35.29 78.64 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.268 1.979 . . . . 74.31 112.969 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 72' ' ' ALA . 50.8 mm -69.27 -32.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 73.04 109.64 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 18.0 tptp -70.79 -25.27 62.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.481 -0.781 . . . . 72.5 109.543 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 59' ' ' PRO . 34.4 tt0 -62.13 -37.61 85.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.125 -0.943 . . . . 72.54 109.743 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.95 -36.83 65.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.161 0.505 . . . . 75.25 109.773 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.54 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 2.3 t70 -53.84 -51.09 64.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 74.23 109.68 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -60.56 -29.72 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.298 -0.865 . . . . 70.21 111.571 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -69.89 -16.87 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.378 . . . . 72.4 110.984 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.5 -15.98 10.58 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.983 -0.627 . . . . 74.42 112.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.914 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.1 mmpt? -94.81 46.52 1.13 Allowed 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.679 0.752 . . . . 54.35 111.571 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.549 -1.205 . . . . 72.05 110.919 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -74.33 -44.05 54.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 75.43 109.976 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.34 -37.86 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 70.42 110.571 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' ' 60' ' ' ILE . . . -53.29 -51.42 62.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 65.53 111.388 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.592 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 tt0 -61.87 -45.9 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.412 0.625 . . . . 64.2 111.216 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 8.4 tpt180 -56.37 -32.49 64.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.987 -1.006 . . . . 75.24 111.107 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.15 -49.81 22.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.354 -0.385 . . . . 55.33 111.387 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.592 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.6 pt20 -65.62 -41.0 93.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.74 0.305 . . . . 74.33 111.801 -175.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.34 -19.97 65.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 61.11 110.558 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' O ' HG13 ' A' ' 82' ' ' ILE . 20.9 ttm180 -80.81 -49.67 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.904 -0.589 . . . . 64.44 110.707 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.82 -32.45 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.403 . . . . 73.13 111.098 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.5 ' HA ' ' HB3' ' A' ' 97' ' ' ALA . 19.0 p -65.34 -32.41 74.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.799 0.333 . . . . 74.2 110.887 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.4 -38.07 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.03 110.526 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.523 ' HA ' ' HE1' ' A' ' 16' ' ' TRP . 83.3 mt -60.76 -51.54 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 74.24 110.58 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 ttt -70.97 -25.1 62.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 62.41 110.492 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 80' ' ' THR . 15.0 tpp85 -59.74 -46.08 90.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 74.4 110.364 178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -68.71 -30.07 68.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.355 0.598 . . . . 72.31 109.769 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.989 ' HB2' ' HE1' ' A' ' 91' ' ' TYR . . . -65.76 -22.92 66.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 74.02 111.335 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' MET . 46.8 t -72.54 -23.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.468 . . . . 64.41 110.294 176.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.5 tp60 -67.95 -36.57 80.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 61.23 111.265 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.17 -7.9 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 75.2 110.492 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 57.02 64.94 1.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.551 -0.75 . . . . 73.44 112.768 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.989 ' HE1' ' HB2' ' A' ' 86' ' ' ALA . 7.5 p90 -111.06 0.34 16.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.398 0.618 . . . . 73.32 109.661 169.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.6 pt -130.42 143.61 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.433 -0.803 . . . . 72.13 110.614 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.51 25.35 8.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.952 0.406 . . . . 72.54 110.833 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.4 m -132.46 -60.82 0.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 74.15 110.904 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 55.2 78.48 0.38 Allowed Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 115.887 -0.597 . . . . 75.24 111.171 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.867 ' HB2' ' HA ' ' A' ' 53' ' ' THR . 72.5 Cg_endo -76.17 -17.26 17.2 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.706 2.271 . . . . 53.13 112.483 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 80' ' ' THR . . . -82.46 79.49 8.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.311 0.577 . . . . 53.53 110.806 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 m -140.21 -64.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.961 -0.563 . . . . 74.05 111.314 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 46.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.767 0.317 . . . . 73.14 111.233 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mtp -90.47 -41.13 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 72.33 110.966 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.06 23.77 10.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.263 -0.426 . . . . 54.42 110.511 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.62 100.35 0.9 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 40.45 112.606 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 59.79 86.26 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.29 0.567 . . . . 72.22 111.503 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.494 HD12 HE21 ' A' ' 73' ' ' GLN . 5.1 tt -124.97 102.73 7.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.177 -0.675 . . . . 73.41 109.177 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 t 71.26 12.5 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.176 -0.92 . . . . 74.4 110.709 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -80.94 114.24 19.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.406 -0.59 . . . . 62.44 109.406 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 -59.56 2.0 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.732 -0.667 . . . . 72.21 112.022 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 21.4 mmtp -90.2 108.57 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.248 0.547 . . . . 70.1 112.007 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -162.2 37.5 0.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.935 -1.029 . . . . 61.53 110.221 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 110' ' ' ARG . 28.1 mmt180 -119.04 -78.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.374 0.509 . . . . 71.31 112.374 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.77 132.31 41.14 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.964 -0.294 . . . . 73.54 110.252 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -130.08 140.57 39.05 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.171 -0.468 . . . . 55.34 110.668 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HG2' ' HE1' ' A' ' 116' ' ' HIS . 31.8 Cg_exo -59.66 155.27 43.63 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.937 2.425 . . . . 73.12 111.908 175.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.2 tp -68.94 -49.61 56.49 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.391 -0.822 . . . . 75.42 110.821 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 1.2 tm-20 -171.96 118.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.25 109.861 -177.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.42 ' HE1' ' HG2' ' A' ' 113' ' ' PRO . 46.0 m80 -75.22 97.54 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 65.01 110.143 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 115' ' ' GLU . 26.1 m-70 -72.15 -48.39 43.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.325 -172.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -105.2 150.69 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.61 -0.268 . . . . 72.41 110.485 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -95.43 -4.08 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.269 0.47 . . . . 75.42 112.269 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 69.61 123.29 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.34 0.59 . . . . 72.13 111.83 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.435 -0.793 . . . . 73.11 109.735 176.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.17 -0.307 . . . . 75.1 110.17 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.25 119.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.019 0.824 . . . . 74.52 112.399 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.67 136.94 45.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.673 -0.694 . . . . 75.43 109.398 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t -141.78 164.19 30.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.84 0.352 . . . . 72.42 110.258 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.06 104.16 0.53 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.092 -0.575 . . . . 74.12 111.749 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.93 -177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.198 0.523 . . . . 75.42 111.041 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -107.07 2.78 25.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.564 -0.744 . . . . 74.22 109.908 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 11' ' ' THR . 24.3 m -58.35 142.23 48.79 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.4 -0.818 . . . . 71.13 111.529 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.678 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 36.7 t80 -48.34 -37.52 16.84 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.7 -0.682 . . . . 73.32 112.234 -177.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.841 0.682 . . . . 54.43 112.841 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 8' ' ' THR . 13.4 t -70.63 -30.66 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.818 -0.353 . . . . 63.1 111.113 -173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.76 -44.21 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.689 -0.486 . . . . 72.51 109.689 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.75 81.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.837 -0.619 . . . . 65.04 111.022 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.66 -45.06 93.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 53.42 110.959 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.36 -54.36 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.547 -0.751 . . . . 74.34 112.372 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.593 ' HE1' HG12 ' A' ' 82' ' ' ILE . 69.5 p-90 -79.47 -38.15 35.22 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.646 -0.422 . . . . 75.52 111.637 -176.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -65.2 -24.9 67.49 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.975 0.361 . . . . 71.44 111.975 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -53.82 -14.71 1.03 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.852 0.686 . . . . 70.03 112.852 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -38.75 88.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 64.5 110.477 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -131.71 84.67 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.121 0.962 . . . . 65.52 110.47 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.59 159.16 20.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 74.21 110.471 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HD2' ' O ' ' A' ' 23' ' ' TRP . 7.7 tmm_? -115.41 138.94 50.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.894 -0.78 . . . . 73.51 108.894 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.467 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 5.6 m-90 -76.0 176.61 7.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 73.55 111.749 -172.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 46.6 m 65.56 46.4 2.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.638 -0.71 . . . . 72.31 110.04 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.93 -21.5 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.366 -0.834 . . . . 73.22 111.632 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.65 -30.65 14.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.507 0.67 . . . . 75.02 110.407 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 32.8 m-70 -65.77 -21.61 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.995 -1.002 . . . . 73.34 112.089 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -34.77 2.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.561 0.744 . . . . 75.33 111.607 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -54.5 -46.46 73.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.951 0.405 . . . . 71.34 110.966 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.509 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 5.3 mpt_? -81.7 -34.75 30.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 74.51 110.565 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.38 -33.45 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.059 -0.519 . . . . 65.45 110.615 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 64.7 tp -56.65 -41.15 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.654 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.81 -35.4 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 75.41 110.781 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.58 -34.54 67.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.093 0.473 . . . . 75.03 110.105 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.624 HD12 HD11 ' A' ' 39' ' ' ILE . 46.9 tp -60.53 -52.71 64.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.6 -0.727 . . . . 75.51 110.863 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.7 pt-20 -70.07 -28.88 65.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 64.3 112.134 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.7 mt -84.09 -34.04 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.098 0.407 . . . . 72.31 112.098 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -101.82 -45.92 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.103 0.408 . . . . 72.51 112.103 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.624 HD11 HD12 ' A' ' 35' ' ' LEU . 57.2 mt -94.57 -33.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 75.11 111.545 -173.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.453 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 89.1 m-85 -122.0 54.26 5.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 121.118 -0.233 . . . . 73.34 111.309 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.21 -56.27 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.953 1.769 . . . . 61.52 112.978 -170.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -105.0 -2.65 24.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 64.33 111.132 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.814 HG22 ' HB2' ' A' ' 56' ' ' LEU . 37.3 pt -119.6 12.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.284 -0.416 . . . . 63.43 111.672 -173.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -67.14 -14.17 63.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.048 -0.596 . . . . 74.23 112.858 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p -89.38 -0.79 57.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.847 0.356 . . . . 74.12 111.098 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -108.57 105.59 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 74.02 111.044 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.93 164.94 20.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 42.42 110.232 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.678 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 16.5 tt -73.28 -10.7 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.403 -0.362 . . . . 64.2 111.685 -173.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -51.27 -44.34 61.78 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.412 -0.588 . . . . 74.2 109.412 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.12 82.66 1.96 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.67 -0.863 . . . . 72.51 108.67 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -85.86 128.1 34.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.501 -0.772 . . . . 73.05 108.996 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -90.0 169.52 11.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.074 -0.512 . . . . 73.21 111.683 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -73.81 -162.31 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.553 -0.749 . . . . 74.33 111.912 -178.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 13.8 m -64.22 16.73 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.697 0.999 . . . . 73.11 113.697 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' H ' ' C ' ' A' ' 53' ' ' THR . 35.3 m-70 -73.07 -31.11 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.23 -0.656 . . . . 73.23 109.23 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.814 ' HB2' HG22 ' A' ' 43' ' ' ILE . 4.6 pp -77.11 -14.64 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.456 -0.793 . . . . 75.13 110.518 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.568 HD11 HE22 ' A' ' 76' ' ' GLN . 2.0 tt -66.91 -28.97 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 71.22 111.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.737 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.43 -56.52 21.71 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.318 0.488 . . . . 75.24 112.318 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.737 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -60.94 -27.18 84.39 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.066 1.844 . . . . 54.02 113.2 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 63' ' ' VAL . 43.6 mm -71.49 -24.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.449 0.643 . . . . 54.22 110.114 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 9.4 tmtt? -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.573 -0.74 . . . . 64.0 110.352 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -69.17 -46.74 66.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.437 -0.347 . . . . 64.21 110.969 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 60' ' ' ILE . 11.4 p -70.16 -28.27 35.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 65.34 110.051 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 3.3 t70 -58.16 -57.61 12.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.658 -0.701 . . . . 74.2 110.703 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -72.79 -19.25 61.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 62.55 111.015 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -66.94 -15.71 63.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.875 -0.602 . . . . 74.51 111.143 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.53 -16.6 5.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.565 -0.826 . . . . 50.22 113.004 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.8 mmpt? -97.81 30.69 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.241 0.543 . . . . 75.23 110.194 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.6 p80 -48.41 -48.04 37.34 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.637 -1.165 . . . . 71.33 112.749 -176.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -72.56 -35.46 67.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 73.44 110.853 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 40.9 t -68.51 -41.97 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.331 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.09 91.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.618 . . . . 73.34 110.958 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.405 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.7 mm-40 -59.62 -45.03 93.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.232 -0.44 . . . . 63.03 111.093 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -58.23 -32.9 68.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.724 -0.671 . . . . 71.54 111.367 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 79' ' ' VAL . 95.3 mt -65.9 -43.5 88.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.63 -0.259 . . . . 75.13 110.448 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.568 HE22 HD11 ' A' ' 57' ' ' LEU . 2.7 mt-30 -61.8 -46.56 89.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.576 0.703 . . . . 75.41 109.697 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -20.39 65.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.283 -1.326 . . . . 74.01 111.589 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.541 ' O ' HG13 ' A' ' 82' ' ' ILE . 98.6 mtt180 -83.09 -41.55 18.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.601 -0.272 . . . . 74.44 110.3 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 75' ' ' LEU . 94.7 t -60.79 -41.31 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 74.21 110.754 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.554 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 31.4 p -60.27 -40.01 88.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 74.43 110.628 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.32 92.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.668 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.593 HG12 ' HE1' ' A' ' 16' ' ' TRP . 76.5 mt -59.79 -40.99 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.964 -0.562 . . . . 70.41 110.294 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 mmm -66.28 -34.66 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 73.33 111.283 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 80' ' ' THR . 9.3 mmm180 -65.69 -34.16 77.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.381 . . . . 70.24 110.061 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.449 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 5.9 t80 -73.59 -30.52 63.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 63.54 109.716 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.7 85.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 72.31 110.246 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' MET . 94.6 t -69.02 -27.02 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 61.15 110.574 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.449 ' HB3' ' O ' ' A' ' 85' ' ' TYR . 32.2 tt0 -57.35 -42.22 81.6 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.336 175.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.7 -15.82 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 54.23 109.983 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t70 44.03 76.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.718 1.207 . . . . 54.42 113.345 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.514 ' HH ' HG21 ' A' ' 48' ' ' ILE . 38.6 p90 -111.21 7.83 21.36 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.479 0.657 . . . . 75.31 109.688 169.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 pt -120.09 -39.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.386 -0.825 . . . . 75.45 111.897 -175.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 61.25 24.1 14.25 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.015 0.912 . . . . 73.4 110.868 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.4 m -147.49 137.97 23.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.872 -0.604 . . . . 60.12 110.082 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -112.74 86.37 8.63 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 116.361 -0.381 . . . . 74.31 111.243 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.45 0.94 9.62 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.189 . . . . 50.52 111.796 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.778 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . -104.0 6.31 36.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.686 -0.688 . . . . 45.34 111.106 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -68.37 -47.56 67.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.116 -0.493 . . . . 65.2 110.194 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -124.31 30.35 6.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 72.13 109.438 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.778 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.6 tmt? -58.09 -53.89 53.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.308 -0.86 . . . . 54.2 109.855 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.34 90.42 3.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.694 -0.684 . . . . 72.24 109.316 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.91 -176.91 50.06 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.698 -0.683 . . . . 73.03 113.081 -175.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.42 89.14 5.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.176 0.513 . . . . 72.02 111.132 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 pp -103.6 -4.85 23.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 62.04 110.773 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.0 t -90.14 -13.89 34.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.869 -0.605 . . . . 73.2 110.446 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.0 p -90.24 -169.14 2.32 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.195 0.522 . . . . 61.0 110.58 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.9 m -131.97 -69.49 0.6 Allowed 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.783 -0.644 . . . . 72.3 109.825 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -102.28 101.47 11.75 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.282 0.563 . . . . 75.31 110.764 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -101.59 -19.18 15.57 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.255 -0.884 . . . . 53.45 109.838 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -85.55 131.95 34.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.092 -0.958 . . . . 71.43 109.49 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -115.96 168.06 10.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.797 0.332 . . . . 73.04 110.808 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.7 115.21 18.05 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.072 -0.513 . . . . 74.32 110.397 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HG2' ' HG3' ' A' ' 115' ' ' GLU . 61.4 Cg_endo -74.23 -178.81 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.698 2.265 . . . . 74.32 111.257 174.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.61 -51.65 9.59 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.911 -0.316 . . . . 74.32 110.425 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.473 ' HG3' ' HG2' ' A' ' 113' ' ' PRO . 26.0 mt-10 61.52 19.6 10.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.705 -0.679 . . . . 63.33 111.329 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.03 11.36 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.501 0.667 . . . . 72.14 109.335 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -108.08 110.13 21.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.128 -0.942 . . . . 74.42 109.509 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -84.53 98.31 10.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.029 -0.36 . . . . 73.45 110.029 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -111.82 117.89 34.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.076 -0.511 . . . . 75.04 110.546 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -93.05 112.79 24.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.841 -0.618 . . . . 71.25 110.072 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.781 -0.628 . . . . 75.22 109.907 177.464 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.667 0.27 . . . . 73.41 110.337 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.869 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -74.7 139.13 43.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.825 -0.435 . . . . 75.22 109.825 174.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -68.79 124.43 23.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.085 -0.507 . . . . 65.31 111.482 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 m -124.98 35.0 4.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.558 -0.746 . . . . 73.24 109.235 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.98 51.7 3.54 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.389 -0.823 . . . . 71.42 113.351 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.57 133.38 44.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.672 -0.862 . . . . 65.34 108.672 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -88.37 98.17 11.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.174 0.511 . . . . 75.11 111.32 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -116.52 -168.86 1.52 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 75.51 109.753 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 53.5 t80 -69.58 -28.15 65.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.463 -0.569 . . . . 72.31 109.463 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.35 -45.3 73.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.725 -0.67 . . . . 70.52 110.416 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.72 -48.29 66.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 72.42 112.745 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.673 HD12 HD13 ' A' ' 48' ' ' ILE . 56.4 mt -69.71 -41.87 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 74.33 111.383 -175.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 62.32 110.414 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.569 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 50.3 ttt180 -69.13 -36.61 77.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.232 -0.894 . . . . 63.42 111.08 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -58.87 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.97 0.794 . . . . 73.01 111.693 -173.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -74.42 -24.88 59.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.464 -0.335 . . . . 73.02 111.2 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.93 -29.97 69.99 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.299 -0.251 . . . . 73.52 111.238 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 98.4 mt-10 -68.58 -18.22 64.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.761 0.315 . . . . 64.32 111.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 m -75.87 -15.38 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.375 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 8.0 t30 -95.44 -2.27 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.539 . . . . 72.11 109.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 71.7 mmtt 75.13 156.79 0.18 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.334 -0.848 . . . . 70.04 112.806 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 67.95 114.88 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 113.986 -1.461 . . . . 63.43 112.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 p90 -139.69 -55.19 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.297 -1.319 . . . . 74.32 109.589 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 39.7 t 58.76 115.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.245 0.966 . . . . 63.1 112.552 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.869 ' HG2' ' HB2' ' A' ' 2' ' ' GLU . 2.1 mp0 -68.93 -29.63 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 73.43 110.769 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.16 -48.82 32.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.398 0.618 . . . . 75.51 110.291 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -70.5 -24.63 62.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.753 . . . . 74.15 109.918 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.569 ' HG3' HD13 ' A' ' 32' ' ' LEU . 18.4 tpt180 -46.51 -43.94 17.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.745 0.818 . . . . 65.55 112.83 -175.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 m -55.59 -32.63 63.23 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.189 0.519 . . . . 54.04 111.357 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 7.1 mpt_? -81.24 -37.79 28.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 64.22 109.945 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -65.24 -38.5 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 74.42 110.697 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD13 ' HG3' ' A' ' 28' ' ' ARG . 6.4 mp -62.95 -37.94 89.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 72.4 111.45 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -30.37 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.433 0.635 . . . . 71.23 109.475 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -69.73 -47.61 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.253 -0.885 . . . . 71.31 111.226 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 40' ' ' PHE . 3.2 pp -68.65 -20.94 64.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.271 0.471 . . . . 72.41 112.271 -175.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.625 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 50.8 mt-10 -70.35 -32.11 69.67 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.716 0.293 . . . . 65.04 111.272 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -103.31 -33.91 8.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.099 0.407 . . . . 70.02 112.099 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.597 ' HH ' HG21 ' A' ' 71' ' ' VAL . 29.5 t80 -96.26 -33.18 12.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.843 0.312 . . . . 73.55 111.843 -172.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.515 HG12 ' HA ' ' A' ' 35' ' ' LEU . 34.4 mm -97.22 -61.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.64 -0.424 . . . . 74.33 111.215 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 35' ' ' LEU . 4.0 p90 -131.35 84.36 56.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.158 0.504 . . . . 74.23 111.425 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.625 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 12.6 Cg_exo -70.61 -56.28 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.789 2.326 . . . . 73.44 113.05 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -103.51 -9.79 19.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.87 -0.332 . . . . 73.0 111.564 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 ' HB2' ' A' ' 40' ' ' PHE . 28.8 pt -104.33 3.72 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.975 0.416 . . . . 73.21 110.857 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' ' HD1' ' A' ' 40' ' ' PHE . . . -87.35 4.31 86.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.935 -0.65 . . . . 54.02 111.758 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -96.33 12.77 29.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 74.21 110.533 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -126.26 148.69 49.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 71.42 110.073 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -82.22 153.1 26.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.126 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.673 HD13 HD12 ' A' ' 12' ' ' ILE . 18.9 tt -71.24 -13.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.548 . . . . 71.34 111.007 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.72 -24.39 67.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 74.41 110.278 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -127.35 78.55 1.82 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.605 0.717 . . . . 74.32 109.361 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD11 ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -88.59 161.35 16.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.048 -0.978 . . . . 65.3 109.348 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' H ' HD11 ' A' ' 51' ' ' LEU . 74.3 mmtt -122.58 161.81 23.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.008 0.433 . . . . 74.25 111.081 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.409 ' OG1' ' HD2' ' A' ' 55' ' ' HIS . 2.3 p -75.71 -162.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.411 -0.813 . . . . 75.14 111.186 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.406 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.9 m -52.03 -12.27 0.21 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.678 0.992 . . . . 71.12 113.678 -174.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HD2' ' OG1' ' A' ' 53' ' ' THR . 82.6 m-70 -58.24 -36.93 73.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.768 0.318 . . . . 71.55 110.315 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.497 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -74.3 -15.53 60.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.934 0.397 . . . . 74.2 111.131 -177.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.37 -20.16 55.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 51.33 110.935 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.67 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.73 -53.73 61.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 111.886 0.328 . . . . 64.43 111.886 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 54.9 Cg_exo -55.51 -44.85 44.36 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.159 1.906 . . . . 60.13 112.892 176.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.9 mm -67.96 -30.35 47.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.273 0.559 . . . . 74.41 110.56 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -69.65 -25.77 64.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.753 . . . . 73.35 110.05 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.52 -49.65 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 70.14 110.056 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.35 -40.78 89.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.134 0.492 . . . . 74.43 109.968 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.589 ' HA ' ' O ' ' A' ' 68' ' ' LYS . 1.1 t70 -55.65 -58.32 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.086 -0.961 . . . . 71.52 111.48 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 m -78.41 -19.84 52.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.07 -0.514 . . . . 64.51 111.755 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -71.19 -32.2 68.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 74.21 110.392 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.09 -48.63 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.166 -1.016 . . . . 54.23 113.315 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.638 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -90.66 80.82 5.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.666 0.746 . . . . 73.42 111.61 -175.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -73.06 -53.48 10.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.452 -1.249 . . . . 71.04 111.469 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -61.35 -48.1 82.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.147 -0.933 . . . . 71.13 111.909 -168.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.597 HG21 ' HH ' ' A' ' 38' ' ' TYR . 26.8 m -63.62 -36.7 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 75.11 111.42 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . . . -67.15 -43.94 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 63.02 110.677 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.489 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -62.49 -45.04 94.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.557 . . . . 64.5 110.797 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -62.55 -32.31 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.78 -0.646 . . . . 73.11 111.592 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 71' ' ' VAL . 5.4 mp -73.3 -49.37 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 64.51 111.396 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.8 pt20 -61.25 -43.31 99.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 74.25 111.276 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.14 -29.62 68.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.898 0.38 . . . . 75.21 111.042 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -69.28 -22.36 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.05 111.011 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.17 -35.06 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 62.42 110.943 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.3 p -60.98 -41.55 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 51.05 110.745 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -40.66 83.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.41 110.266 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.32 -45.63 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 54.53 110.514 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.911 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 10.7 mmt -58.81 -38.55 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 63.41 110.676 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -61.0 -45.67 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.35 110.937 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.17 -30.86 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.342 . . . . 73.14 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.02 72.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.855 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG23 ' ND2' ' A' ' 95' ' ' ASN . 99.8 t -79.04 -37.68 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 74.54 110.334 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 71.34 109.614 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.18 -7.22 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.373 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.04 65.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.005 -0.998 . . . . 53.21 111.978 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -109.56 -10.2 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 75.22 110.518 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.0 pt -122.45 169.53 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 70.31 109.975 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -103.67 -48.75 3.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.037 0.446 . . . . 74.12 111.174 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.522 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 10.0 m -98.53 166.06 11.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 73.42 111.212 -173.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' HG23 ' A' ' 87' ' ' VAL . 15.5 m120 -110.25 86.14 4.98 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.553 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 94' ' ' SER . 18.0 Cg_endo -94.38 -169.42 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.315 2.677 . . . . 73.52 112.455 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.479 ' HB3' ' HG3' ' A' ' 83' ' ' MET . . . 58.49 82.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.433 -0.803 . . . . 62.44 112.211 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -138.4 -47.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.459 . . . . 61.21 109.952 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.43 32.5 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.813 0.816 . . . . 72.34 110.388 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.452 ' HE3' ' O ' ' A' ' 76' ' ' GLN . 3.6 ppp? -120.56 9.59 10.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 74.13 109.671 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.91 -177.87 6.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.059 -0.973 . . . . 71.33 109.585 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.09 -131.04 6.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.715 -0.755 . . . . 73.31 111.958 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.15 -27.73 9.91 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.602 -0.148 . . . . 61.32 110.602 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.734 ' HG ' ' H ' ' A' ' 105' ' ' SER . 0.5 OUTLIER 38.69 -79.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.702 1.601 . . . . 71.12 114.365 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.734 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 18.1 m -80.23 -5.61 56.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.419 -0.355 . . . . 65.5 111.74 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -113.35 115.74 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.771 0.319 . . . . 75.12 110.427 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.4 p -138.85 130.08 26.93 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.825 -0.625 . . . . 74.12 110.921 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.477 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -142.42 139.66 31.71 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.157 -0.683 . . . . 72.13 109.157 177.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -135.03 -26.74 1.29 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.311 -0.404 . . . . 73.14 111.545 -177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -74.86 163.35 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.692 -0.231 . . . . 74.3 110.791 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.4 m170 72.07 97.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.867 0.729 . . . . 72.54 112.123 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -118.21 93.98 45.94 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.082 -0.71 . . . . 71.42 109.082 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.83 128.31 10.76 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.76 2.307 . . . . 63.14 111.923 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.09 -43.13 99.37 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.561 -0.903 . . . . 74.14 108.561 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 55.35 34.96 23.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 114.745 -1.116 . . . . 73.32 111.128 172.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -105.44 104.89 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 74.12 110.109 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -116.24 102.55 9.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.229 -0.656 . . . . 74.35 109.229 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -87.56 133.31 33.81 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.697 -0.683 . . . . 72.24 109.971 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.44 108.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.107 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -122.08 104.01 9.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.044 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.631 -0.7 . . . . 71.53 109.982 177.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.598 -0.519 . . . . 73.41 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 66.91 84.9 0.15 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.569 0.699 . . . . 73.44 109.398 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -81.82 115.02 20.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.311 -0.859 . . . . 75.34 110.632 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t -133.57 103.72 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 75.45 109.572 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.63 -109.85 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.027 -0.606 . . . . 62.25 111.599 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.76 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.386 0.612 . . . . 71.21 110.242 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -145.3 138.09 26.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.206 -0.906 . . . . 75.04 109.461 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.721 ' H ' ' HB ' ' A' ' 11' ' ' THR . 77.8 p -129.41 -164.57 1.42 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.342 -0.845 . . . . 54.11 109.385 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 48' ' ' ILE . 47.5 t80 -63.67 -49.51 72.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 73.14 110.747 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -75.88 -35.76 59.74 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 116.414 -0.357 . . . . 74.14 110.367 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.721 ' HB ' ' H ' ' A' ' 8' ' ' THR . 56.1 m -62.14 -35.42 78.7 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.836 0.68 . . . . 64.44 112.836 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.686 HD11 HD11 ' A' ' 48' ' ' ILE . 58.2 mt -72.37 -37.24 57.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 121.924 -0.485 . . . . 75.14 110.446 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.58 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.081 0.467 . . . . 74.33 110.0 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.751 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 4.7 tpp180 -52.31 -31.49 33.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.302 1.041 . . . . 55.41 112.152 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.71 -57.19 11.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.368 -0.833 . . . . 75.53 109.966 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.637 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 53.8 p-90 -81.48 -30.14 33.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.078 0.466 . . . . 73.54 111.091 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.751 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 17.1 t-160 -62.54 -27.9 69.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.905 0.705 . . . . 74.44 112.905 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.619 ' OE1' ' HD2' ' A' ' 14' ' ' ARG . 12.2 tp10 -65.49 -3.51 4.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.955 0.407 . . . . 51.14 111.681 -176.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -66.29 -28.54 68.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.482 -0.326 . . . . 72.13 111.532 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 69.59 156.92 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.913 0.485 . . . . 70.31 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -89.26 -40.94 12.48 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.158 0.429 . . . . 73.31 112.158 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -159.95 165.67 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.573 -0.529 . . . . 73.03 109.573 -174.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.469 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 11.4 m-90 -62.18 90.73 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.471 0.653 . . . . 75.31 111.507 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.6 m -163.27 38.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.953 -1.128 . . . . 65.3 107.953 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -49.9 -53.2 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.881 -1.054 . . . . 62.23 111.891 -169.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.17 -46.39 75.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.847 -0.615 . . . . 71.12 111.447 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -75.73 -42.66 49.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.843 -0.617 . . . . 72.24 111.589 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.19 -24.61 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.545 0.202 . . . . 61.34 111.545 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -70.58 -41.97 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 72.21 110.563 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -82.27 -33.99 28.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.589 -0.278 . . . . 51.01 110.874 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 69.6 t -65.51 -38.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.615 -0.266 . . . . 74.44 111.01 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.73 -24.19 8.23 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.615 0.572 . . . . 74.32 111.927 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 33' ' ' ARG . 35.9 ttt180 -50.75 -31.05 15.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 64.15 111.7 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HD1' ' O ' ' A' ' 31' ' ' VAL . 3.2 p90 -54.75 -25.86 30.52 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.898 -0.592 . . . . 75.52 111.614 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD11 HG13 ' A' ' 39' ' ' ILE . 41.7 tp -56.25 -42.82 77.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.779 0.323 . . . . 74.13 111.319 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.78 -32.66 74.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 74.42 111.68 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -103.47 -41.07 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.359 0.504 . . . . 71.24 112.359 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -76.97 -37.0 56.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.37 -0.377 . . . . 73.43 111.097 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.49 HD12 ' HG ' ' A' ' 75' ' ' LEU . 48.0 mm -99.2 -29.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 74.02 111.269 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.4 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 64.0 m-85 -120.36 61.22 8.11 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.841 -0.344 . . . . 75.12 111.434 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.4 -56.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.342 1.361 . . . . 72.05 112.396 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -105.97 -21.04 13.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.273 0.558 . . . . 74.15 110.41 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG22 ' HB2' ' A' ' 56' ' ' LEU . 40.3 pt -94.09 16.22 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.619 -0.719 . . . . 74.33 112.161 -171.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -62.5 -9.21 23.56 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.248 -0.501 . . . . 75.32 113.403 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -87.19 7.49 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.786 0.327 . . . . 64.13 111.01 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -73.84 143.26 45.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.499 . . . . 62.53 111.778 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -99.65 134.66 42.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.211 -0.904 . . . . 73.51 109.189 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 9' ' ' PHE . 12.8 tt -75.72 -21.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.703 0.764 . . . . 75.42 109.806 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.712 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 7.0 ttp85 -78.33 -20.55 51.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.398 -0.819 . . . . 70.34 109.639 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -138.05 80.12 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.96 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -82.31 138.34 34.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.449 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HD3' ' HE2' ' A' ' 55' ' ' HIS . 89.7 mttt -104.08 171.83 7.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.34 0.591 . . . . 74.03 112.572 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.705 HG23 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -73.0 -172.69 1.09 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.597 -0.729 . . . . 70.04 111.348 -177.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.705 ' H ' HG23 ' A' ' 53' ' ' THR . 4.5 p -71.99 16.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.89 1.07 . . . . 74.05 113.89 -169.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.563 ' HE2' ' HD3' ' A' ' 52' ' ' LYS . 34.4 p80 -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.041 -0.664 . . . . 72.24 109.591 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HB2' HG22 ' A' ' 43' ' ' ILE . 4.6 pp -76.9 -15.18 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.584 -0.735 . . . . 62.14 110.837 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.49 -13.49 59.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 75.35 111.226 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' HD2' ' A' ' 59' ' ' PRO . . . -48.54 -54.41 26.72 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.047 0.758 . . . . 52.05 113.047 -177.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -61.27 -29.01 85.5 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.905 1.737 . . . . 64.14 113.426 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 HD12 ' HG2' ' A' ' 59' ' ' PRO . 3.4 mp -72.29 -25.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.317 0.579 . . . . 74.41 109.454 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.744 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 1.3 mmmp? -69.98 -25.64 63.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.625 0.726 . . . . 73.23 110.297 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.41 -49.03 79.37 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.55 -1.205 . . . . 63.41 110.56 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.434 HG21 ' HB2' ' A' ' 68' ' ' LYS . 10.1 p -77.93 -28.51 15.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.215 0.531 . . . . 71.22 110.236 177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.744 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -55.97 -52.28 64.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 54.22 110.859 175.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.6 m -73.34 -14.57 61.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 75.4 111.305 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.9 m -71.04 -18.44 62.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.436 -0.347 . . . . 61.42 110.979 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.28 -1.88 14.31 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.577 -0.821 . . . . 53.24 113.039 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.776 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.8 mmpt? -105.14 24.23 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.327 0.584 . . . . 75.11 110.442 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -59.34 -25.45 64.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.093 -0.958 . . . . 74.14 112.92 -175.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.8 t70 -61.65 -54.03 48.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.793 0.27 . . . . 61.24 111.213 -176.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.9 m -69.13 -34.48 63.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 54.42 110.899 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.93 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.073 0.463 . . . . 74.5 110.271 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 16.9 tt0 -62.53 -45.05 94.72 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.668 -0.696 . . . . 72.22 110.659 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 24.5 mmt180 -49.24 -42.4 40.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.183 -0.917 . . . . 71.42 111.031 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.49 ' HG ' HD12 ' A' ' 39' ' ' ILE . 4.3 mm? -73.57 -48.14 35.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 74.01 111.97 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -66.15 -35.24 79.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.192 0.52 . . . . 65.42 111.293 -176.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -65.16 -34.78 79.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.681 -0.69 . . . . 73.31 109.945 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 82' ' ' ILE . 8.2 tpp180 -75.55 -30.82 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.051 -0.522 . . . . 74.43 110.471 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 75' ' ' LEU . 84.0 t -58.83 -42.56 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 121.315 0.579 . . . . 62.34 109.522 172.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.4 m -65.7 -34.25 77.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.343 -0.844 . . . . 65.1 110.462 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . . . -67.63 -34.32 76.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.733 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.637 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 77.3 mt -61.5 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 72.43 109.958 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.837 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 17.7 mmt -56.64 -34.65 67.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 72.44 111.07 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -57.43 -45.1 85.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 74.51 111.047 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -77.32 -28.78 53.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 74.33 110.905 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.29 90.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.116 0.484 . . . . 72.43 110.413 173.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 83' ' ' MET . 97.7 t -60.62 -28.58 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.922 -0.581 . . . . 74.23 110.874 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -60.01 -32.02 70.48 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.006 0.431 . . . . 72.24 110.756 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.625 ' HB3' ' HD1' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -88.71 -6.37 57.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.07 -0.513 . . . . 75.33 110.806 -177.754 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 63.97 10.89 5.65 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.522 -0.763 . . . . 63.53 112.999 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.712 ' HE2' ' HA ' ' A' ' 49' ' ' ARG . 43.2 p90 -78.34 -26.81 46.92 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.129 -0.628 . . . . 75.21 111.617 -173.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.522 HG21 ' CE2' ' A' ' 91' ' ' TYR . 11.3 pt -89.81 -28.51 5.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 120.987 -0.285 . . . . 74.22 111.431 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 70.27 -60.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.908 0.755 . . . . 52.12 112.068 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 t -83.64 175.03 10.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.752 0.311 . . . . 72.42 110.399 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -115.59 87.52 17.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 53.22 110.397 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -79.45 -175.85 2.95 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.554 2.169 . . . . 71.13 111.89 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.7 18.84 7.56 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.529 -0.759 . . . . 65.31 111.622 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 p -67.71 -26.85 66.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.103 -0.499 . . . . 74.11 111.763 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.29 -12.01 57.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 73.23 111.217 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.0 mmt -57.16 -51.23 70.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.173 0.511 . . . . 74.51 110.954 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.03 16.49 17.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.955 -0.566 . . . . 62.31 110.808 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.98 4.73 6.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.637 -0.792 . . . . 61.33 112.127 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.74 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.647 0.24 . . . . 73.35 111.647 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 104' ' ' LEU . 1.6 pt? -138.12 104.26 5.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.393 0.616 . . . . 74.05 111.242 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -148.67 -70.11 0.21 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.37 -0.974 . . . . 74.23 108.37 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -101.05 93.77 5.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.141 -0.689 . . . . 74.05 109.141 170.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.4 p -82.25 119.93 24.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.409 0.623 . . . . 75.24 112.341 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -85.79 147.31 26.37 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.213 -0.903 . . . . 74.24 109.066 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.67 -51.63 3.85 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.784 -0.644 . . . . 73.1 110.394 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.34 90.64 8.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.566 -0.531 . . . . 72.32 109.566 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.27 93.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.755 0.788 . . . . 72.45 110.889 173.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.458 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 75.8 m-85 -124.2 128.49 25.02 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.577 -0.738 . . . . 74.21 110.268 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.495 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 22.6 Cg_exo -64.64 -77.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.858 2.372 . . . . 71.43 112.734 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 4.1 tt 170.07 80.82 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.27 -1.011 . . . . 75.04 108.27 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -47.91 110.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.609 -0.723 . . . . 73.12 110.678 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -88.3 101.37 13.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.649 . . . . 70.44 110.318 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -97.33 159.91 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 74.21 111.025 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -133.03 163.49 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 74.33 109.823 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -80.34 79.04 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.153 0.501 . . . . 73.13 110.15 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -150.17 165.96 31.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.081 -0.963 . . . . 75.12 109.284 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 22.0 p80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.701 -0.666 . . . . 65.25 109.567 178.764 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.289 -0.263 . . . . 63.51 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.28 -51.19 21.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 74.41 110.661 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -68.41 117.94 10.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.124 -0.489 . . . . 61.24 110.502 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 t -126.13 -4.35 6.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.854 -0.612 . . . . 71.52 110.058 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 151.01 20.8 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.742 -0.742 . . . . 41.22 112.214 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 68.48 90.89 0.09 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 123.269 0.627 . . . . 73.01 111.507 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.509 ' HE2' ' HG3' ' A' ' 49' ' ' ARG . 9.6 p90 -100.09 74.94 1.81 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.305 1.05 . . . . 75.2 109.99 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -91.95 165.34 13.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.375 -0.83 . . . . 75.54 109.997 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 13.2 p90 -66.8 -24.58 66.2 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.533 -0.543 . . . . 73.52 109.533 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.69 -44.37 66.21 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.566 -0.743 . . . . 74.45 110.862 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.31 -41.71 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 75.32 110.543 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.7 mm -68.42 -38.22 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 71.4 110.431 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.26 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 70.5 111.374 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -65.14 -28.95 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.487 -0.324 . . . . 73.52 110.927 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -59.66 4.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.547 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -80.1 -29.33 39.01 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.871 -0.332 . . . . 72.24 111.616 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.44 -28.64 68.05 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.362 0.504 . . . . 65.01 112.362 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HG2' ' HD3' ' A' ' 28' ' ' ARG . 19.2 tt0 -72.29 -7.41 49.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.698 0.285 . . . . 62.12 111.725 -173.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 64.24 110.501 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.46 -176.95 0.21 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.77 -0.65 . . . . 75.34 111.715 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -106.27 -46.01 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.402 -0.962 . . . . 65.43 108.402 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 88.78 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.162 -1.421 . . . . 73.44 107.162 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -52.36 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.133 0.896 . . . . 71.22 112.672 -169.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 15.0 m -156.1 137.23 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 62.32 109.284 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.2 pm0 -69.27 -26.79 64.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.343 -0.39 . . . . 62.24 111.722 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.89 -30.78 67.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.969 0.414 . . . . 70.12 110.309 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.448 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 38.4 m170 -71.7 -28.34 63.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 71.32 110.723 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.555 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 83.6 mtt180 -56.53 -45.71 81.0 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 123.418 0.449 . . . . 73.32 110.702 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -62.92 -33.64 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 71.03 111.036 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -76.93 -48.9 16.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.526 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.02 -16.46 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 74.45 111.454 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 1.3 tm? -66.3 -47.12 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.389 -0.597 . . . . 75.3 109.389 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -29.87 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.075 -0.511 . . . . 73.52 109.945 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -64.57 -37.79 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 74.14 109.873 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.536 HD13 ' HB ' ' A' ' 39' ' ' ILE . 49.0 tp -58.63 -46.34 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.365 -0.834 . . . . 71.22 110.524 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.35 -34.38 68.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 73.44 112.197 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -95.35 -41.39 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.536 0.569 . . . . 73.52 112.536 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -96.09 -11.81 25.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.811 0.339 . . . . 75.51 111.593 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.536 ' HB ' HD13 ' A' ' 35' ' ' LEU . 46.6 mt -135.25 122.56 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-O 121.512 0.672 . . . . 73.21 111.105 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.511 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.1 m-85 71.42 54.12 0.38 Allowed Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 114.382 -1.281 . . . . 75.23 112.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 14.9 Cg_exo -68.44 -51.68 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 121.922 1.748 . . . . 74.12 112.459 -176.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -103.12 -2.02 28.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 63.22 111.926 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 56' ' ' LEU . 33.0 pt -127.8 11.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.763 0.653 . . . . 74.13 112.763 -170.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.431 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -97.14 10.16 65.55 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.078 -1.058 . . . . 44.14 113.519 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 p -107.72 4.36 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.081 0.4 . . . . 73.13 112.081 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -99.24 148.47 24.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 71.23 112.188 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.8 163.73 21.14 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.512 -0.767 . . . . 74.15 110.252 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.418 HD12 ' HB1' ' A' ' 86' ' ' ALA . 18.7 tt -75.51 -28.31 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 111.95 0.352 . . . . 70.25 111.95 -175.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.509 ' HG3' ' HE2' ' A' ' 7' ' ' TYR . 46.2 mtt180 -72.52 -21.33 61.2 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.01 -0.276 . . . . 65.44 111.338 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -114.11 72.26 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.877 0.846 . . . . 60.01 109.481 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.88 137.71 32.15 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.725 -1.125 . . . . 74.1 109.194 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.868 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.6 mmtp -85.37 164.94 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 70.4 110.563 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.646 HG21 ' H ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -90.9 -161.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.021 -0.536 . . . . 74.43 109.614 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.646 ' H ' HG21 ' A' ' 53' ' ' THR . 16.1 m -59.29 -0.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.129 0.789 . . . . 71.34 113.129 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' HD2' ' HB ' ' A' ' 53' ' ' THR . 42.0 m-70 -58.32 -34.86 71.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.033 0.444 . . . . 71.54 110.195 174.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.868 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.0 pp -77.37 -14.71 59.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 64.43 111.162 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD11 ' HE1' ' A' ' 100' ' ' MET . 64.5 tp -78.22 -18.94 54.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 75.13 110.911 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.678 ' HB1' ' HD3' ' A' ' 59' ' ' PRO . . . -54.61 -53.05 64.46 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.243 0.46 . . . . 75.23 112.243 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.678 ' HD3' ' HB1' ' A' ' 58' ' ' ALA . 32.3 Cg_exo -61.63 -35.32 81.47 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.119 1.88 . . . . 72.32 112.634 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.498 ' HB ' HD12 ' A' ' 57' ' ' LEU . 45.2 mm -71.59 -24.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.471 0.653 . . . . 74.51 109.976 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 5.0 tmtm? -65.71 -26.51 67.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.254 -0.885 . . . . 73.53 109.934 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.84 -28.84 67.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.941 -0.572 . . . . 73.12 110.268 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.9 -39.92 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 73.14 111.031 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 69' ' ' HIS . 2.8 p30 -75.51 -40.17 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.69 -0.404 . . . . 74.43 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.9 m -73.8 -52.86 11.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.815 0.34 . . . . 72.45 111.389 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -91.02 15.6 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.759 -0.201 . . . . 71.01 111.479 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.46 -132.17 1.37 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.319 -0.944 . . . . 64.23 113.036 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.559 ' N ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -88.18 91.81 8.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.665 0.269 . . . . 75.05 110.936 -175.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.456 ' HB3' ' O ' ' A' ' 64' ' ' ASP . 5.2 p-80 -66.48 -26.64 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 74.33 110.768 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 10.5 t70 -64.39 -52.3 58.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 72.25 110.048 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.52 -39.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.406 -0.816 . . . . 72.11 111.345 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.35 77.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.629 0.233 . . . . 71.51 111.629 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.327 0.584 . . . . 71.55 110.182 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 48.1 mtt180 -58.0 -44.05 86.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.544 -0.753 . . . . 73.42 110.086 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.33 -30.22 64.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.394 -0.821 . . . . 64.53 112.695 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.33 -36.84 68.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.536 -0.466 . . . . 71.14 111.148 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -56.76 -17.88 10.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.632 -0.713 . . . . 73.42 112.626 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.0 ptt-85 -50.42 -34.21 23.69 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.223 0.453 . . . . 75.43 112.223 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' HB ' ' SD ' ' A' ' 100' ' ' MET . 19.4 t -72.11 -33.61 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.414 -0.357 . . . . 74.14 110.676 -176.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.2 m -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.234 0.54 . . . . 73.42 109.936 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' O ' ' HD1' ' A' ' 85' ' ' TYR . . . -64.86 -45.1 87.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.893 -0.594 . . . . 73.51 109.899 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 78' ' ' ARG . 35.8 mm -53.11 -44.82 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.969 -0.559 . . . . 74.42 110.254 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.664 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -58.05 -38.57 76.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.121 -0.945 . . . . 62.11 111.194 -177.135 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -70.37 -50.97 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 74.2 111.173 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.491 ' HD1' ' O ' ' A' ' 81' ' ' ALA . 65.1 m-85 -60.18 -30.37 69.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.974 0.416 . . . . 75.54 110.981 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.418 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -66.62 -35.29 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 62.41 111.306 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.82 -40.95 21.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.974 0.416 . . . . 74.22 110.089 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.66 -31.48 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 75.44 111.617 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -113.46 10.06 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.668 0.247 . . . . 70.34 111.668 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.27 73.06 0.41 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.594 0.59 . . . . 72.45 112.594 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -110.74 -45.11 3.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.672 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 94' ' ' SER . 25.6 pt -103.56 159.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.387 0.514 . . . . 74.12 112.387 -169.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -112.95 5.53 17.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.81 -0.632 . . . . 71.14 110.518 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.487 ' O ' HD12 ' A' ' 92' ' ' ILE . 33.7 t -154.55 154.29 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 62.24 109.807 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -119.73 85.21 32.81 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.816 0.341 . . . . 75.33 110.899 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.664 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 11.9 Cg_exo -72.17 -44.64 0.8 Allowed 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.835 2.356 . . . . 70.42 113.136 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.32 33.57 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -60.49 -43.28 97.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 51.0 110.213 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -101.71 -69.75 0.77 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.719 -0.673 . . . . 74.33 109.615 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.542 ' HE1' HD11 ' A' ' 57' ' ' LEU . 26.9 ttt 72.01 -54.31 0.68 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.932 0.77 . . . . 54.41 112.532 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.29 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.263 0.352 . . . . 64.24 111.842 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.51 -110.29 3.22 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.111 -0.566 . . . . 72.1 112.043 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.41 107.84 10.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.715 0.293 . . . . 52.15 110.654 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.42 -60.54 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.686 -0.688 . . . . 72.12 109.608 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.5 t -161.44 -59.45 0.05 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.239 -0.652 . . . . 73.23 109.239 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.3 p -135.7 116.49 14.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 73.34 110.131 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 p -83.76 -39.23 20.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.488 . . . . 74.11 109.954 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.415 ' HB3' ' HE2' ' A' ' 108' ' ' LYS . 3.6 ttpt -131.62 129.98 41.56 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.537 -0.756 . . . . 72.33 109.88 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -157.28 -73.8 0.09 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.963 -0.384 . . . . 61.24 109.963 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 110' ' ' ARG . 34.7 ttt180 -168.16 123.4 0.98 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 73.31 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -144.62 -56.76 0.35 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.67 -0.696 . . . . 70.13 109.508 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -150.94 153.47 33.22 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.334 -0.848 . . . . 75.4 109.876 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 116' ' ' HIS . 48.7 Cg_endo -69.77 -167.05 0.21 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.6 2.2 . . . . 55.33 112.532 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.473 HD11 ' HG2' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -78.8 -59.17 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 72.22 109.558 -177.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.473 ' HG2' HD11 ' A' ' 114' ' ' LEU . 56.8 mm-40 -117.54 101.11 8.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.832 -0.622 . . . . 72.31 111.048 -178.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.515 ' HB2' ' HG2' ' A' ' 113' ' ' PRO . 11.3 t60 -152.43 26.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.823 -0.806 . . . . 74.14 108.823 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -137.83 90.4 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.811 -1.086 . . . . 73.52 108.419 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -100.18 142.2 31.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.401 -0.818 . . . . 71.4 111.526 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -159.17 148.42 18.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.701 . . . . 73.04 110.485 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -167.34 142.47 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.292 -0.633 . . . . 71.33 109.292 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 39.6 m80 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.322 -0.847 . . . . 73.13 109.574 176.703 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.059 -0.349 . . . . 70.25 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.6 -49.58 75.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 65.32 111.057 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -126.28 96.75 4.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.095 -0.502 . . . . 74.14 109.939 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.5 p -130.39 107.64 9.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.264 -0.426 . . . . 65.4 110.856 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.455 ' HA3' ' OG1' ' A' ' 8' ' ' THR . . . -105.9 134.79 12.28 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.727 -0.749 . . . . 65.14 111.867 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.41 -49.97 8.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.775 0.322 . . . . 63.52 111.257 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -89.53 13.22 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 75.21 110.703 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.455 ' OG1' ' HA3' ' A' ' 5' ' ' GLY . 99.9 m -71.56 129.29 38.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 75.23 111.054 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.881 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.3 t80 -55.49 -48.42 74.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.988 0.423 . . . . 64.35 110.768 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.58 -32.94 67.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 73.43 111.349 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -70.83 -39.37 73.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 73.54 110.622 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.44 -33.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 73.12 110.144 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.81 69.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 64.22 111.107 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -66.5 -30.55 70.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 71.3 111.003 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -57.57 10.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.628 -0.715 . . . . 73.32 110.934 -174.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 56.4 p-90 -79.2 -35.13 42.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 73.01 111.788 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -69.07 -23.82 64.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.941 0.348 . . . . 71.11 111.941 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -52.7 -25.98 12.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.037 0.535 . . . . 65.23 111.585 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -58.84 -23.03 60.11 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.107 -0.497 . . . . 75.35 111.248 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -120.66 23.11 10.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.879 0.371 . . . . 54.34 111.342 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 47.7 mmtt -141.99 173.5 11.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.815 0.34 . . . . 73.31 111.237 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 7.8 mpt_? -125.63 160.89 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 64.0 109.238 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 m-90 -68.92 89.5 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.439 0.462 . . . . 72.05 111.573 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 m -143.99 100.29 3.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.616 -0.72 . . . . 64.34 109.55 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.72 -30.57 70.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.395 . . . . 71.31 111.835 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.32 -44.23 96.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.02 0.438 . . . . 74.15 110.324 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -64.32 -41.76 96.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.758 -0.656 . . . . 64.13 109.254 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -57.58 -47.4 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 73.25 110.869 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -65.04 -36.99 86.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.106 0.41 . . . . 70.44 112.106 -176.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 30' ' ' ARG . 67.1 mtt180 -81.28 -43.37 19.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.617 0.229 . . . . 74.33 111.617 -176.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.28 -26.81 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 72.35 110.239 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tt -57.73 -37.34 73.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.549 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.85 -41.96 82.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 72.21 110.04 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.8 -44.02 94.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 74.03 109.777 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.449 HD11 HG13 ' A' ' 39' ' ' ILE . 51.5 tp -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.408 -0.815 . . . . 44.31 110.556 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.36 -55.13 34.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 74.44 111.628 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.38 -26.03 66.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.646 0.61 . . . . 75.13 112.646 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -104.81 -36.58 7.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.473 0.546 . . . . 73.5 112.473 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.501 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 48.8 mm -95.3 -32.76 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.911 -0.316 . . . . 74.13 111.452 -175.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m-85 -125.47 54.53 10.13 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 121.042 -0.263 . . . . 73.05 111.352 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 10.5 Cg_exo -70.15 -56.48 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.674 1.583 . . . . 64.34 112.519 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -105.5 -2.29 23.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 65.43 111.355 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 56' ' ' LEU . 40.8 pt -112.56 13.68 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 111.707 0.262 . . . . 75.33 111.707 -174.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.25 -4.54 37.19 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.198 -0.525 . . . . 65.23 113.565 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 m -86.46 -1.07 57.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.977 0.388 . . . . 72.42 110.949 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -82.89 134.87 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.407 -0.36 . . . . 74.31 110.587 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.26 142.92 30.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.969 -0.752 . . . . 75.41 108.969 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.881 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 14.8 tt -58.78 -20.35 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 112.62 0.6 . . . . 75.41 112.62 -174.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -67.56 -21.7 65.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.806 0.336 . . . . 71.24 111.168 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -146.21 83.59 1.62 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.625 0.726 . . . . 73.01 109.871 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.634 HD11 ' H ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -77.82 150.11 34.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.977 -1.011 . . . . 71.53 109.004 178.265 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.638 ' HB2' HD23 ' A' ' 56' ' ' LEU . 97.5 mttt -94.43 170.41 9.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.128 0.49 . . . . 64.42 111.826 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 54' ' ' SER . 2.5 m -73.92 -179.39 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.015 178.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.775 ' H ' HG23 ' A' ' 53' ' ' THR . 3.4 m -68.01 12.57 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.547 0.943 . . . . 72.24 113.547 -172.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -74.8 -25.98 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 72.22 109.94 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 52' ' ' LYS . 3.6 pp -67.82 -13.69 62.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.685 -0.689 . . . . 74.25 111.638 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HG ' ' HG2' ' A' ' 61' ' ' LYS . 55.8 tp -72.94 -17.71 61.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.368 -0.378 . . . . 74.11 111.984 -176.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.12 -52.07 65.64 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.869 0.692 . . . . 51.23 112.869 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 71.0 Cg_exo -50.39 -48.82 18.53 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.508 2.139 . . . . 74.42 113.326 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 60' ' ' ILE . 4.1 mp -64.34 -31.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.31 0.576 . . . . 72.11 110.349 -178.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 58.5 mmtt -69.14 -24.41 64.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 74.14 112.054 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.39 -47.41 79.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.279 -0.419 . . . . 75.45 110.263 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.595 HG12 ' HB2' ' A' ' 68' ' ' LYS . 19.9 t -77.17 -34.23 21.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.409 0.624 . . . . 73.42 109.947 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.577 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.5 t70 -54.45 -54.25 43.28 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.974 -1.012 . . . . 75.42 111.177 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -64.87 -23.76 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.698 -0.683 . . . . 65.05 112.124 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.5 m -71.68 -11.52 60.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.838 0.351 . . . . 72.4 110.856 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.93 -11.21 7.82 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.782 -0.723 . . . . 64.31 112.372 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.953 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.6 mmpt? -87.01 22.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.261 0.553 . . . . 74.43 111.322 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.524 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.2 p-80 -61.05 -14.37 23.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.391 -0.822 . . . . 75.21 111.794 176.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.07 -50.37 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.224 -0.287 . . . . 54.03 110.224 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.32 -37.36 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 70.42 110.779 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' A' ' 69' ' ' HIS . . . -60.13 -57.25 13.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 64.14 111.938 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.3 tp60 -57.88 -47.09 83.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 70.14 110.883 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -49.33 72.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.26 -0.882 . . . . 73.03 111.742 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.98 -35.21 64.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.111 0.412 . . . . 61.24 112.111 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.3 pp0? -70.63 -44.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.277 . . . . 72.12 111.076 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -66.43 -19.02 65.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.11 0.481 . . . . 72.0 110.735 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -64.65 -27.37 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 64.05 111.394 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 76' ' ' GLN . 7.4 p -64.89 -31.8 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.906 0.384 . . . . 64.41 110.72 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.2 m -61.17 -31.05 70.79 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.015 0.436 . . . . 73.22 110.466 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.75 61.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.383 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.5 -35.04 68.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.864 -0.607 . . . . 75.42 109.957 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.927 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 10.9 mmt -60.33 -33.03 71.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.677 -0.692 . . . . 73.41 111.449 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -68.35 -31.34 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.75 0.309 . . . . 74.34 110.992 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 16' ' ' TRP . 19.1 m-85 -73.09 -29.57 63.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 74.24 110.417 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.87 75.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.071 -0.513 . . . . 73.55 110.052 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 83' ' ' MET . 92.4 t -66.78 -36.07 76.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.223 -0.444 . . . . 70.34 110.306 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.682 . . . . 73.12 110.167 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -95.29 5.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 73.41 111.098 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.4 t70 53.21 39.02 29.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.922 0.868 . . . . 52.43 110.439 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.604 ' HE2' HG23 ' A' ' 48' ' ' ILE . 8.6 t80 -87.39 -20.14 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.309 -0.86 . . . . 73.3 110.905 -174.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.5 pt -117.01 154.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 75.24 110.646 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.17 -31.39 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.362 0.601 . . . . 73.13 110.198 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.9 m -110.16 162.27 14.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.012 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -118.17 86.28 26.36 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.904 0.383 . . . . 72.4 110.763 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.72 -175.38 2.26 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.518 2.145 . . . . 75.42 111.861 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.2 12.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.157 -0.474 . . . . 75.34 111.459 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -89.31 -17.51 28.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.92 0.39 . . . . 73.21 110.674 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -125.24 68.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.445 0.641 . . . . 73.3 110.659 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.78 13.62 18.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.928 -0.578 . . . . 73.13 110.239 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.12 114.19 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.565 -0.743 . . . . 64.23 110.194 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -151.25 -44.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.711 -0.757 . . . . 65.32 112.341 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -133.34 111.64 10.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 72.42 110.773 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -132.68 -71.92 0.52 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.576 -0.738 . . . . 73.14 109.18 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -137.99 -76.7 0.38 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.997 -0.547 . . . . 53.12 110.013 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -143.85 121.25 11.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 55.44 110.55 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -160.46 151.19 18.61 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.555 -0.906 . . . . 75.34 108.555 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -138.72 120.72 15.58 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.122 -0.696 . . . . 62.43 109.122 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.87 31.58 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.331 -0.849 . . . . 75.42 108.964 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -61.92 149.25 41.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.42 -0.809 . . . . 63.32 111.763 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.89 93.77 9.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.039 -0.982 . . . . 74.02 111.08 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -109.86 101.62 47.59 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.726 . . . . 72.33 109.878 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.77 166.44 11.65 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.806 2.337 . . . . 75.13 112.127 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 tp -167.06 59.38 0.08 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.392 -0.822 . . . . 65.54 109.377 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 53.55 -102.26 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.829 -1.078 . . . . 64.22 112.047 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.25 67.77 7.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.393 0.616 . . . . 74.45 110.123 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -150.19 89.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.329 -0.851 . . . . 75.42 109.785 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -127.88 108.64 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.053 -0.522 . . . . 75.13 109.718 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -102.57 113.41 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 74.03 111.501 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -87.28 143.19 27.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.654 -0.703 . . . . 73.34 109.278 173.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.1 p80 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.557 -0.735 . . . . 73.31 110.172 178.597 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.663 0.268 . . . . 71.03 110.677 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 50.39 -101.42 0.09 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.373 -0.831 . . . . 73.05 112.247 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -175.54 111.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 64.31 109.326 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 m -67.81 -42.71 81.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.004 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.07 -165.71 29.36 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.17 -0.538 . . . . 63.35 111.795 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.01 -81.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.186 0.517 . . . . 74.22 110.368 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.69 23.66 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.932 0.873 . . . . 75.12 108.646 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -62.56 161.95 11.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 113.893 -1.503 . . . . 62.24 111.132 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.465 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 42.7 t80 -49.05 -49.18 42.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 75.44 112.287 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -37.69 77.48 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 121.241 -0.184 . . . . 72.51 111.341 -173.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 8' ' ' THR . 12.4 t -70.36 -30.96 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.871 -0.518 . . . . 75.54 111.279 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.564 HG21 ' HB2' ' A' ' 86' ' ' ALA . 60.0 mt -76.13 -38.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.547 -0.538 . . . . 74.41 109.547 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -63.92 -29.49 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 74.12 110.331 174.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' A' ' 25' ' ' GLU . 3.3 mmt-85 -52.92 -32.4 45.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.708 -0.678 . . . . 74.2 112.153 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -57.25 -55.29 36.62 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.505 0.503 . . . . 75.11 110.547 -176.694 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.624 ' HE1' HG12 ' A' ' 82' ' ' ILE . 70.1 p-90 -80.64 -32.57 36.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.726 -0.215 . . . . 72.22 111.001 175.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -50.93 -28.33 9.49 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.88 0.696 . . . . 64.21 112.88 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 9.9 pt-20 -65.49 -20.7 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.518 0.199 . . . . 74.54 111.489 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -79.0 -20.57 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.45 . . . . 63.13 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -78.97 176.89 9.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 73.41 109.719 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.667 ' HB3' ' HZ3' ' A' ' 23' ' ' TRP . 62.9 mmtt -72.79 99.43 2.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.636 0.731 . . . . 73.21 111.328 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' HD3' ' OE2' ' A' ' 25' ' ' GLU . 1.2 tmm_? -137.42 98.29 3.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.93 -1.032 . . . . 73.23 109.169 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.667 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 44.0 p90 -106.6 -1.89 22.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.487 -0.779 . . . . 73.14 110.772 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -163.2 140.28 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.935 -0.575 . . . . 74.22 110.234 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 21.4 mm-40 -69.16 -27.37 65.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.655 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.47 -35.72 74.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 74.22 110.852 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -63.86 -28.31 69.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.643 -0.708 . . . . 63.23 111.283 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 23.8 ptt180 -72.22 -24.55 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.563 -0.455 . . . . 72.24 110.293 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -73.0 -33.09 65.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.228 0.537 . . . . 72.02 110.298 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.4 -39.05 62.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 72.22 111.007 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 28' ' ' ARG . 32.7 m -83.71 -14.61 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 75.1 111.271 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 7.4 tt -53.13 -51.45 61.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.871 0.367 . . . . 63.32 110.377 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.376 -0.374 . . . . 75.41 110.812 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -70.18 -48.24 58.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 74.45 110.522 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HA ' HG12 ' A' ' 39' ' ' ILE . 4.0 pp -70.46 -29.55 66.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 71.24 111.155 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 43.8 tt0 -75.0 -29.93 61.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 73.43 111.205 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 41' ' ' PRO . 41.2 tp -98.61 -27.11 14.15 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.341 0.497 . . . . 72.12 112.341 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -108.8 -34.96 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.523 0.564 . . . . 70.21 112.523 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.532 HG12 ' HA ' ' A' ' 35' ' ' LEU . 43.8 mm -85.3 -57.68 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.757 0.313 . . . . 74.21 110.405 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.612 ' HB2' HG13 ' A' ' 43' ' ' ILE . 8.5 p90 -131.23 76.22 76.55 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.067 0.461 . . . . 75.34 110.885 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 56.1 Cg_endo -76.01 -57.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.498 2.132 . . . . 40.13 113.884 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.93 -16.23 34.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 74.0 110.618 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.612 HG13 ' HB2' ' A' ' 40' ' ' PHE . 24.1 pt -102.85 9.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.54 . . . . 73.41 110.454 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -74.82 1.75 52.48 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.87 -0.605 . . . . 75.3 112.298 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 p -87.75 -10.73 50.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.169 0.509 . . . . 75.11 110.002 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -107.56 113.02 26.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.677 -0.692 . . . . 72.41 110.471 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 23.0 t70 -79.78 161.92 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.887 -0.597 . . . . 72.43 110.04 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 12' ' ' ILE . 16.5 tt -57.04 -23.87 19.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 122.591 0.356 . . . . 72.01 111.495 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' HB3' ' A' ' 47' ' ' ASP . 24.9 ptt180 -54.75 -26.79 36.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.147 -0.479 . . . . 75.02 111.168 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -148.75 85.37 1.49 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.891 0.377 . . . . 74.44 110.508 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 52' ' ' LYS . 18.5 tp -92.67 161.77 14.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.699 -0.482 . . . . 63.43 109.699 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 94.2 mttt -117.38 176.47 5.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.405 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.57 HG23 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -69.68 -164.4 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.015 0.436 . . . . 74.12 111.628 -178.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 53' ' ' THR . 16.0 m -66.48 11.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.853 0.686 . . . . 72.44 112.853 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 53' ' ' THR . 79.3 m-70 -65.62 -28.4 69.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.262 -0.644 . . . . 74.45 109.262 175.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.596 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.6 pp -73.48 -14.91 61.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.267 -0.878 . . . . 74.14 111.169 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 tp -73.28 -21.39 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 52.14 110.589 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.63 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -59.15 -51.29 82.75 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.026 0.38 . . . . 60.05 112.026 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 50.5 Cg_exo -56.84 -31.59 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.213 1.942 . . . . 73.21 112.84 173.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -68.55 -28.63 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.888 -0.412 . . . . 70.23 109.888 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.87 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 0.6 OUTLIER -68.94 -25.33 64.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 73.01 110.448 -178.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -58.34 -49.91 75.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 74.2 109.995 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.74 -33.29 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.002 0.43 . . . . 64.44 110.429 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.87 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.46 -58.01 10.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.776 -0.647 . . . . 65.4 111.908 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -71.71 -12.62 61.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.451 . . . . 75.31 111.237 -173.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -15.7 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.957 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.3 -3.13 7.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.59 -0.815 . . . . 72.24 112.349 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 18.66 10.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.794 0.33 . . . . 72.45 110.179 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.442 ' HB2' ' OD1' ' A' ' 64' ' ' ASP . 5.4 p-80 -54.65 -41.91 70.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.363 -0.835 . . . . 73.15 112.148 -170.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.84 -38.94 61.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 75.45 110.464 -174.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.7 t -72.98 -48.86 42.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.683 -0.69 . . . . 74.21 110.445 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.18 93.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.957 -0.565 . . . . 63.03 111.29 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 17.2 tt0 -59.12 -46.42 88.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 74.42 110.968 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -63.06 -38.41 91.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.261 -0.881 . . . . 64.34 110.813 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.19 -46.54 49.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.452 -0.34 . . . . 72.51 111.438 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.621 ' O ' HG23 ' A' ' 79' ' ' VAL . 4.7 pp0? -61.48 -37.54 83.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 73.5 111.143 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -20.02 62.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.762 -0.654 . . . . 64.34 111.41 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.573 ' O ' HG13 ' A' ' 82' ' ' ILE . 28.3 mmt180 -64.11 -32.52 74.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.732 -0.213 . . . . 74.42 111.319 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 76' ' ' GLN . 13.2 m -66.91 -31.91 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.794 0.33 . . . . 74.25 110.296 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.506 HG22 ' HB1' ' A' ' 97' ' ' ALA . 3.1 m -60.83 -40.38 92.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.072 -0.513 . . . . 54.24 110.351 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.4 81.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.781 -0.645 . . . . 65.11 110.565 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.624 HG12 ' HE1' ' A' ' 16' ' ' TRP . 40.7 mt -59.89 -45.08 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.102 177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 92.7 mmm -64.49 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 75.4 110.945 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 2.7 tmt_? -67.14 -38.84 86.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.263 -0.426 . . . . 75.02 110.023 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -73.99 -41.63 61.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.002 0.429 . . . . 75.12 110.387 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 12' ' ' ILE . . . -65.01 -40.87 95.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.296 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 84' ' ' ARG . 2.7 p -68.1 -27.62 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.436 -0.347 . . . . 74.34 110.508 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.72 74.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.823 -0.626 . . . . 75.23 109.7 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -89.01 1.23 55.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 75.53 110.577 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.4 t0 55.72 40.28 30.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.074 0.94 . . . . 74.24 109.209 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -101.07 -18.12 16.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.937 -1.029 . . . . 71.11 112.081 -168.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.571 HG13 ' H ' ' A' ' 93' ' ' ASP . 2.1 pt -103.41 -88.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.758 1.021 . . . . 74.45 113.758 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.571 ' H ' HG13 ' A' ' 92' ' ' ILE . 35.3 t70 -177.34 46.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.424 -0.584 . . . . 72.35 109.424 -170.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.576 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 56.8 m 71.45 -158.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.157 -0.928 . . . . 52.41 110.591 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.85 87.71 7.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 111.937 0.347 . . . . 64.43 111.937 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.1 Cg_exo -76.64 -17.98 15.67 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.697 2.265 . . . . 74.21 112.255 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.506 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -93.91 82.68 4.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.196 0.522 . . . . 73.11 110.822 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -133.6 139.06 46.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.91 -0.586 . . . . 73.14 110.073 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.06 15.37 10.05 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.101 0.953 . . . . 62.4 109.646 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.443 ' HE1' HD11 ' A' ' 56' ' ' LEU . 27.5 ttt -70.7 -33.93 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.956 -1.02 . . . . 73.22 110.765 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.83 15.83 19.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 62.12 111.06 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.79 66.93 3.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.84 -0.695 . . . . 55.0 111.987 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.36 -151.13 0.36 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.003 0.43 . . . . 73.31 110.643 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.12 12.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.725 -0.67 . . . . 54.15 112.608 -176.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.9 m -64.96 -33.14 75.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.362 . . . . 74.24 111.201 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -132.81 110.02 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.895 0.379 . . . . 74.31 111.064 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 p -116.46 129.85 56.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.678 -0.49 . . . . 74.34 109.678 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -158.68 166.78 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.49 . . . . 64.1 111.117 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.01 -70.87 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.812 -1.085 . . . . 43.13 108.121 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 57.75 123.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 114.863 1.431 . . . . 71.2 114.863 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -147.67 15.25 1.1 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.699 -1.591 . . . . 62.03 108.272 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -108.37 148.74 38.22 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 114.841 -1.072 . . . . 75.11 109.972 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.34 145.56 66.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.027 1.818 . . . . 73.45 110.991 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.61 -45.62 86.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.01 -0.541 . . . . 72.14 109.902 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.593 ' HG3' ' HB3' ' A' ' 118' ' ' HIS . 31.7 tt0 51.95 97.85 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.687 1.242 . . . . 74.04 113.33 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 117' ' ' HIS . 27.7 m80 -117.36 139.43 50.87 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.401 -0.592 . . . . 72.21 109.401 173.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 116' ' ' HIS . 21.3 m-70 74.38 -42.79 0.51 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.568 0.747 . . . . 55.53 111.702 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.593 ' HB3' ' HG3' ' A' ' 115' ' ' GLU . 38.5 t-80 -70.44 138.1 50.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 71.02 109.555 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -134.67 150.48 50.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.566 0.222 . . . . 74.54 110.876 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -110.53 177.42 4.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 75.33 109.676 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.024 -0.989 . . . . 74.24 110.792 -178.469 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.706 ' HA ' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 108.837 -0.801 . . . . 63.34 108.837 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.8 pm0 -66.82 136.2 55.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.331 -0.849 . . . . 61.4 109.85 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -69.82 104.87 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.441 . . . . 61.14 110.929 -175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t -167.42 -56.53 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.689 -0.687 . . . . 72.23 109.472 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.76 -110.93 0.79 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.852 -0.689 . . . . 62.24 111.816 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 70.09 97.61 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.429 0.691 . . . . 71.2 110.428 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' A' ' 12' ' ' ILE . 11.1 t80 67.9 73.45 0.31 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.164 -0.926 . . . . 72.22 109.054 -173.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 12' ' ' ILE . 12.6 m -61.59 142.73 56.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.693 -1.14 . . . . 72.1 112.681 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.777 ' HD1' ' HB ' ' A' ' 48' ' ' ILE . 93.5 t80 -49.18 -46.33 45.32 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.159 -0.928 . . . . 73.31 111.673 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.44 -33.23 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 71.24 110.642 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 m -68.33 -40.18 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.059 0.457 . . . . 55.53 110.637 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.552 HD13 ' HB3' ' A' ' 86' ' ' ALA . 22.5 mt -63.72 -41.15 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 53.41 109.933 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -65.03 -37.78 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 72.4 110.553 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 21.5 ttt180 -63.75 -37.3 86.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.936 -0.575 . . . . 74.3 111.201 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.85 -55.23 28.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.977 -0.556 . . . . 74.0 111.463 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.647 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.7 p-90 -79.15 -25.16 42.88 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.272 -0.571 . . . . 74.44 110.887 178.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 81.9 t60 -61.03 -31.25 70.88 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.827 -0.17 . . . . 70.54 111.358 174.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.6 mt-10 -72.79 -3.27 24.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.739 0.305 . . . . 74.23 111.184 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 m -88.59 0.37 56.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.296 0.569 . . . . 72.11 109.563 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.416 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 15.4 t-20 -106.32 -174.91 2.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.575 -0.739 . . . . 72.2 109.102 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 1.5 tmtp? -113.99 -26.27 8.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.501 0.185 . . . . 62.34 111.501 -174.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.546 ' HG3' ' H ' ' A' ' 23' ' ' TRP . 6.2 tpt180 -92.71 174.79 7.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.156 0.503 . . . . 73.01 111.472 -172.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.546 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 9.1 m95 49.7 81.0 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.731 -1.122 . . . . 74.11 112.965 -177.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -73.87 174.72 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.271 -0.877 . . . . 71.42 109.31 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.95 -41.75 92.55 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.687 0.254 . . . . 75.3 111.687 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.34 -46.02 69.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 71.31 110.661 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -73.75 -30.24 62.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 73.33 110.389 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.9 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.53 . . . . 71.45 110.036 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -67.82 -35.06 77.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.141 -0.481 . . . . 73.41 111.287 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -78.99 -42.31 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 74.43 110.983 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -62.82 -13.87 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.88 -0.6 . . . . 54.44 111.091 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 2.6 tm? -51.64 -32.17 28.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.668 0.387 . . . . 60.43 110.999 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.441 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -66.84 -51.77 51.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 74.41 110.253 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.31 -34.95 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 75.22 110.133 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.952 HD21 ' HB ' ' A' ' 39' ' ' ILE . 2.5 tm? -52.48 -59.95 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.949 -1.023 . . . . 51.25 109.65 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 43.9 mt-10 -55.51 -30.31 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.994 0.738 . . . . 75.32 112.994 -174.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 37' ' ' LEU . 4.0 mm? -92.68 -39.47 11.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.753 0.649 . . . . 63.3 112.753 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -113.25 -41.64 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.802 0.667 . . . . 72.22 112.802 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.952 ' HB ' HD21 ' A' ' 35' ' ' LEU . 34.7 mm -100.84 102.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 71.13 109.581 -173.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HE2' ' A' ' 9' ' ' PHE . 5.0 m-85 67.25 58.37 0.85 Allowed Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 114.112 -1.404 . . . . 75.44 109.444 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.38 -56.54 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.18 1.92 . . . . 75.11 113.412 -170.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.98 -5.7 21.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 71.45 110.668 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.463 HG13 ' HB3' ' A' ' 40' ' ' PHE . 30.0 pt -105.53 -9.92 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.271 -0.422 . . . . 73.35 111.212 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.23 33.8 2.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.093 -0.575 . . . . 72.13 112.413 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -107.93 -10.37 15.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.575 -0.528 . . . . 73.15 109.575 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -131.07 140.44 50.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 65.44 110.2 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.547 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . 13.0 t70 -79.44 164.11 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.397 -0.365 . . . . 74.42 110.968 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.834 ' HA ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 tt -57.31 -34.89 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 113.095 0.776 . . . . 73.3 113.095 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' HG3' ' HA ' ' A' ' 92' ' ' ILE . 70.4 ttt180 -66.17 -9.59 33.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.33 111.646 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.706 ' HB3' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -138.23 18.07 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.313 -0.403 . . . . 55.15 110.535 178.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.834 ' HG ' ' HA ' ' A' ' 48' ' ' ILE . 20.9 mt -59.28 162.18 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.427 0.632 . . . . 71.21 111.36 173.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -109.34 176.09 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.57 -0.741 . . . . 72.3 111.07 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.445 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.4 p -73.14 -162.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.786 -0.643 . . . . 61.23 111.987 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.445 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.3 m -60.6 5.56 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.95 1.093 . . . . 75.23 113.95 -170.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -64.86 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.387 -0.598 . . . . 73.03 109.387 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 pt? -65.73 -14.25 60.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.271 -0.877 . . . . 61.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.42 -18.93 63.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.57 -0.286 . . . . 75.01 111.452 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -55.49 44.2 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.485 0.55 . . . . 61.02 112.485 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 36.5 Cg_endo -67.57 -18.49 48.68 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.745 1.63 . . . . 61.01 113.21 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.643 HG22 ' HB3' ' A' ' 72' ' ' ALA . 1.9 mp -79.11 -26.7 13.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.949 -0.76 . . . . 75.12 108.949 172.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -71.65 -40.43 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.885 -0.598 . . . . 73.24 110.542 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' ' 59' ' ' PRO . 12.5 pt-20 -67.11 -35.5 79.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.325 -0.398 . . . . 74.24 110.912 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.473 HG21 ' HA ' ' A' ' 60' ' ' ILE . 27.6 m -76.43 -30.13 19.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.033 0.444 . . . . 61.23 110.477 176.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.565 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -61.01 -46.02 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 73.35 110.289 171.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.0 m -79.99 -12.76 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.56 . . . . 73.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 t -72.69 -22.11 60.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 62.12 110.414 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.64 -31.14 3.45 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.756 -0.735 . . . . 73.34 112.179 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.95 51.99 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 75.51 110.462 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 6.3 p80 -68.95 -19.76 64.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.3 -0.864 . . . . 75.14 110.879 -177.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.42 -42.18 75.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 74.23 109.725 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.6 -45.35 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 71.43 109.763 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.643 ' HB3' HG22 ' A' ' 60' ' ' ILE . . . -55.74 -49.35 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.741 . . . . 72.34 111.099 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -56.45 -47.36 79.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.37 0.605 . . . . 51.23 110.443 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -57.97 -40.9 81.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.332 -0.849 . . . . 60.13 111.599 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 39' ' ' ILE . 2.4 mm? -59.25 -40.98 87.66 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.875 0.11 . . . . 73.33 111.244 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -61.55 -46.76 88.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.69 0.757 . . . . 74.14 109.632 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -64.02 -42.06 97.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.825 -1.079 . . . . 62.2 110.886 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.524 HH11 HD21 ' A' ' 75' ' ' LEU . 59.2 mtt85 -57.39 -53.18 61.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.946 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 83' ' ' MET . 33.5 m -66.28 -32.26 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.009 -0.276 . . . . 71.03 111.241 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.6 m -59.11 -44.38 91.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.738 0.304 . . . . 72.33 110.701 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.8 90.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.265 -0.425 . . . . 75.15 110.324 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.647 HG12 ' HE1' ' A' ' 16' ' ' TRP . 77.0 mt -59.3 -41.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 70.12 110.998 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.641 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 38.6 mmt -54.35 -51.03 66.04 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.264 -0.425 . . . . 71.31 110.489 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.8 ttm180 -58.92 -45.11 91.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 74.11 111.774 -175.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -68.06 -34.39 76.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.82 0.343 . . . . 75.04 111.167 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' HD13 ' A' ' 12' ' ' ILE . . . -69.48 -37.03 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 75.11 110.854 178.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 83' ' ' MET . 96.1 t -65.62 -40.07 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 71.13 110.569 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 79.1 mm-40 -62.69 -32.69 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 70.34 111.271 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -5.19 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.43 -0.35 . . . . 70.35 110.981 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.56 26.12 15.52 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.55 0.574 . . . . 63.45 112.55 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -91.17 -51.9 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.286 0.476 . . . . 72.11 112.286 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.495 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 41.2 pt -69.35 -23.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.656 0.243 . . . . 72.25 111.656 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 70.75 -59.27 0.54 Allowed 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.044 0.84 . . . . 71.2 111.846 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -81.42 171.67 14.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.083 -0.508 . . . . 64.11 110.756 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -119.87 85.91 35.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.195 -0.457 . . . . 64.53 110.913 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.584 ' HG2' ' SD ' ' A' ' 83' ' ' MET . 72.3 Cg_endo -78.97 -178.15 4.44 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.711 1.607 . . . . 65.54 111.136 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 50.81 26.04 2.42 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.289 0.368 . . . . 63.11 111.78 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -66.6 0.5 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.007 0.432 . . . . 75.55 111.179 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.31 64.23 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.244 -1.021 . . . . 70.42 108.244 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.427 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.8 tmt? -96.48 -34.77 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.654 -1.157 . . . . 72.34 111.254 -170.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.58 105.8 16.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.321 -0.4 . . . . 53.05 110.296 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -168.25 140.27 6.12 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.787 -0.72 . . . . 73.3 112.145 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 60.98 90.95 0.06 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.194 0.598 . . . . 71.3 112.022 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.0 mt -85.46 -20.66 29.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.542 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.7 t -111.37 -69.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.314 0.578 . . . . 72.23 110.219 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.61 129.34 12.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 73.54 110.099 -176.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.447 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -70.86 144.55 50.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.482 -0.326 . . . . 74.42 110.219 178.426 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -102.14 135.46 43.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.164 0.507 . . . . 72.34 109.886 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -129.85 -47.85 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.296 -0.866 . . . . 62.51 111.601 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 57.12 85.87 0.08 Allowed 'General case' 0 CA--C 1.53 0.196 0 O-C-N 123.723 0.639 . . . . 74.15 110.54 -174.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -144.04 113.7 7.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.721 -0.672 . . . . 72.3 109.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 15.2 t80 -88.14 107.38 15.93 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.999 -0.741 . . . . 72.21 108.999 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 9.1 Cg_endo -85.75 103.2 0.73 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.001 2.467 . . . . 63.14 112.82 -173.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.0 tp -99.3 -21.79 15.89 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.214 -0.903 . . . . 61.14 108.987 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.53 120.66 42.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.279 -0.873 . . . . 72.22 111.006 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -137.25 144.44 42.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.716 -0.675 . . . . 72.05 109.357 172.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -94.73 115.48 27.57 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.728 -0.471 . . . . 71.41 109.728 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -100.75 116.15 31.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.997 -0.371 . . . . 74.15 109.997 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -141.42 122.38 14.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.39 -0.368 . . . . 75.32 110.876 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -172.1 133.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.114 -0.494 . . . . 64.33 110.028 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.247 -0.882 . . . . 65.04 109.801 177.196 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.887 -0.412 . . . . 61.41 109.887 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.25 100.68 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.959 0.409 . . . . 63.42 110.149 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 3.4 m-20 -92.66 91.62 7.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.859 -0.609 . . . . 75.42 109.844 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.8 m -90.68 112.08 23.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.76 -0.655 . . . . 74.53 111.208 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.04 156.5 27.41 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.976 -0.85 . . . . 53.32 110.976 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.58 -85.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.308 0.554 . . . . 63.1 111.306 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -165.16 17.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 74.34 110.574 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 11' ' ' THR . 12.4 p -106.14 -167.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 71.43 111.473 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.9 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.438 . . . . 71.41 110.981 -173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.71 -42.4 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 75.14 111.882 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 8' ' ' THR . 15.3 t -66.12 -29.78 70.15 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.951 0.352 . . . . 51.33 111.951 -171.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 HG23 ' HD2' ' A' ' 85' ' ' TYR . 46.1 mm -72.52 -46.59 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 73.42 110.331 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.62 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.21 0.529 . . . . 74.24 110.262 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 2.2 tmt_? -58.77 -28.77 66.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.108 -0.951 . . . . 73.42 111.136 -177.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.22 -59.1 2.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 65.41 111.566 -174.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -81.64 -35.17 30.31 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.459 0.54 . . . . 74.41 112.459 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -73.47 -22.29 60.2 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.385 0.513 . . . . 75.23 112.385 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.676 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.9 tt0 -50.11 -47.72 53.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.987 0.736 . . . . 74.23 112.987 -169.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 t -84.46 3.88 34.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.024 0.379 . . . . 63.25 112.024 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.24 99.79 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.788 -0.365 . . . . 73.31 111.976 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -172.34 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.603 . . . . 73.21 109.514 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -162.83 114.33 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.91 -0.774 . . . . 72.15 108.91 -179.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -71.79 91.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 72.12 111.424 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 p 175.95 119.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.165 -0.925 . . . . 65.23 109.193 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.5 pm0 -62.63 -32.68 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.362 0.505 . . . . 73.22 112.362 -172.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.28 -47.47 79.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.304 0.573 . . . . 70.43 110.402 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 31' ' ' VAL . 9.5 m-70 -72.57 -33.16 66.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 75.43 109.5 -178.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' HG21 ' A' ' 31' ' ' VAL . 12.3 tpt85 -65.55 -37.71 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.406 -0.815 . . . . 74.13 111.246 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -77.42 -39.96 45.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.65 0.262 . . . . 71.45 111.413 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -64.85 -33.83 76.93 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.913 0.338 . . . . 70.42 111.913 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 28' ' ' ARG . 27.8 m -66.09 -16.18 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.634 0.254 . . . . 73.53 111.474 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.77 -36.38 84.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.476 . . . . 64.41 109.892 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -71.75 -32.91 68.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.044 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.77 -24.33 59.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 75.01 109.684 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.625 ' O ' ' HB ' ' A' ' 39' ' ' ILE . 29.4 tp -60.91 -31.88 71.37 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.387 -0.824 . . . . 62.01 110.514 177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -75.33 -29.26 59.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 74.24 110.995 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 38' ' ' TYR . 3.1 tt -81.32 -65.25 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 72.41 111.51 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD2' HD23 ' A' ' 37' ' ' LEU . 2.6 m-85 -102.9 5.87 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.317 0.488 . . . . 72.53 112.317 -172.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.625 ' HB ' ' O ' ' A' ' 35' ' ' LEU . 29.2 mm -121.5 129.26 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 109.007 -0.738 . . . . 60.23 109.007 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.758 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 36.7 m-85 65.06 54.83 1.2 Allowed Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.633 -1.167 . . . . 73.44 111.047 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -55.76 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.067 1.845 . . . . 74.54 112.557 -175.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -105.2 -10.85 16.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 64.52 110.699 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.425 HG22 ' HB3' ' A' ' 56' ' ' LEU . 36.2 pt -112.04 15.03 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.267 -0.424 . . . . 74.22 112.097 -170.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.758 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -60.95 -29.22 70.15 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.167 -0.54 . . . . 53.22 113.784 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.7 m -96.32 16.36 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.141 0.423 . . . . 71.14 112.141 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -75.82 169.9 17.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.745 0.307 . . . . 71.0 110.657 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -104.67 165.06 11.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 74.32 109.395 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.2 tt -77.71 -38.38 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.915 0.388 . . . . 65.44 110.118 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -80.69 -22.91 39.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.369 -0.604 . . . . 54.43 109.369 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.814 HE21 ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -131.96 85.05 2.21 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.335 -0.848 . . . . 72.34 110.387 177.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -96.22 160.97 14.15 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.488 -1.233 . . . . 72.24 109.484 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -75.9 158.39 32.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 73.54 111.528 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.452 ' HB ' ' H ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -82.27 -162.3 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.53 -0.759 . . . . 72.25 110.751 175.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' A' ' 100' ' ' MET . 16.9 m -65.49 8.31 0.17 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.537 0.569 . . . . 75.15 112.537 -175.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' H ' ' C ' ' A' ' 53' ' ' THR . 21.2 m-70 -70.05 -26.77 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.169 -0.678 . . . . 63.44 109.169 173.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 43' ' ' ILE . 4.5 pp -65.59 -15.62 62.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.53 -0.759 . . . . 73.22 111.288 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.31 -24.09 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.389 . . . . 72.52 111.021 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -55.38 45.44 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.106 0.41 . . . . 72.12 112.106 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.33 -24.25 37.48 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.743 1.629 . . . . 50.22 112.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.461 ' O ' HG21 ' A' ' 63' ' ' VAL . 47.7 mm -73.81 -24.29 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 74.21 109.536 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -70.3 -39.78 74.63 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.601 -0.439 . . . . 71.13 110.872 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.85 -33.59 70.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.766 -0.373 . . . . 71.21 110.86 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 60' ' ' ILE . 10.8 m -74.19 -31.62 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.507 -0.553 . . . . 70.42 109.507 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -56.33 23.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.492 -0.776 . . . . 61.21 110.499 172.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -72.42 -12.47 61.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.492 -0.776 . . . . 71.44 111.188 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -66.49 -11.5 52.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.605 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.74 3.89 10.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.362 -0.923 . . . . 64.12 113.117 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -122.19 56.15 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.569 0.699 . . . . 74.44 110.621 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -58.95 -42.16 89.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 72.41 110.472 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 7.9 m-20 -61.38 -44.07 97.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.614 -0.721 . . . . 65.21 110.271 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 44.9 t -63.99 -46.62 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.62 -0.718 . . . . 74.02 110.295 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -55.84 -47.55 77.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 73.43 111.22 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -61.04 -44.3 97.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.048 0.451 . . . . 71.43 111.185 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.593 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 5.8 mpt_? -60.19 -41.05 92.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.986 -0.552 . . . . 72.43 111.176 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 88.1 mt -61.06 -36.38 79.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.681 0.252 . . . . 72.32 111.681 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 9.1 mm-40 -56.09 -50.42 71.08 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.731 . . . . 62.31 109.732 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.89 -20.73 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.803 -1.09 . . . . 70.01 111.737 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.593 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 6.2 mpt_? -72.33 -53.61 11.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.679 -0.237 . . . . 73.12 111.136 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.54 -34.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.848 0.314 . . . . 71.52 111.848 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.3 m -64.33 -40.04 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 64.04 110.483 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.06 81.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 52.01 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 78' ' ' ARG . 57.7 mt -64.57 -51.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 71.45 110.047 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.531 ' HG3' HD12 ' A' ' 92' ' ' ILE . 32.8 ttm -59.68 -39.96 86.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.316 -0.856 . . . . 74.33 111.702 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 19.3 tpt180 -66.04 -29.09 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.708 -0.224 . . . . 72.42 111.453 -175.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.412 ' HD2' HG23 ' A' ' 12' ' ' ILE . 25.5 t80 -74.79 -34.8 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 64.41 109.86 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.73 -17.87 64.13 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.798 -0.637 . . . . 73.13 111.777 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 92' ' ' ILE . 58.5 t -58.91 -44.23 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.948 0.404 . . . . 73.21 110.191 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -71.28 -23.7 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 62.32 110.257 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -87.58 7.0 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.526 -0.761 . . . . 73.24 111.367 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.95 3.1 4.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 112.356 0.502 . . . . 71.43 112.356 172.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.57 -52.94 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 72.51 111.894 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.531 HD12 ' HG3' ' A' ' 83' ' ' MET . 29.2 pt -102.62 160.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.09 0.472 . . . . 71.22 112.002 -173.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.14 -31.27 6.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.541 -0.754 . . . . 73.33 110.411 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.417 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 23.1 t -130.28 156.94 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 63.34 110.085 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.87 87.33 10.05 Favored Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.462 -0.336 . . . . 74.23 110.94 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.435 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 16.4 Cg_exo -68.33 -16.04 43.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.678 2.252 . . . . 75.11 112.528 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.77 6.91 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 74.04 111.789 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -90.9 -8.33 49.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 63.43 111.233 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.39 -39.44 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.723 0.297 . . . . 74.33 111.674 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.679 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 2.0 ppp? -70.05 -27.19 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 65.41 112.727 -173.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.59 127.54 34.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.187 0.518 . . . . 52.51 111.136 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -141.23 177.02 21.35 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.52 -0.763 . . . . 64.13 111.312 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.18 103.8 7.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 74.13 111.206 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 105' ' ' SER . 2.1 pp -108.78 -24.3 11.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.028 -0.533 . . . . 63.13 110.351 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.432 ' N ' HD13 ' A' ' 104' ' ' LEU . 35.5 m -86.51 -53.84 4.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.524 -0.917 . . . . 65.54 108.524 170.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.9 m 69.89 134.78 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.129 -0.941 . . . . 72.24 112.691 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.561 ' O ' ' HD2' ' A' ' 108' ' ' LYS . 1.6 p -143.86 114.42 7.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 73.43 109.866 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.561 ' HD2' ' O ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -128.13 90.81 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.246 0.546 . . . . 71.14 110.678 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.06 -35.18 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.681 -1.145 . . . . 61.35 110.159 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -85.53 101.29 12.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 73.12 110.168 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -166.91 95.89 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.694 -0.685 . . . . 75.51 110.24 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -118.04 101.45 51.66 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.087 -0.709 . . . . 72.23 109.087 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -80.68 168.53 17.7 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.74 2.293 . . . . 73.11 112.228 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.4 tp -140.55 -77.77 0.3 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.563 -0.744 . . . . 72.43 110.002 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 41.5 54.63 3.62 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.976 0.797 . . . . 72.21 110.425 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -124.52 96.64 4.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.531 -0.759 . . . . 72.33 110.427 -174.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -147.88 113.52 5.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.28 0.562 . . . . 74.32 110.177 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -163.76 130.36 3.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 72.33 109.111 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -138.4 125.04 20.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.213 0.53 . . . . 64.53 111.15 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -138.45 114.84 10.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 72.41 109.349 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.073 -0.965 . . . . 73.45 110.459 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.844 -0.428 . . . . 71.15 109.844 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.35 106.23 7.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.279 -0.419 . . . . 62.24 110.289 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -127.85 160.49 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 75.04 109.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' HG21 ' A' ' 11' ' ' THR . 9.1 m -66.54 -36.65 83.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.805 0.336 . . . . 71.33 110.97 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' H ' HG23 ' A' ' 11' ' ' THR . . . -162.17 132.56 2.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.092 -0.575 . . . . 72.52 112.027 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.58 128.43 35.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.882 0.372 . . . . 64.11 110.393 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 p90 44.75 34.0 1.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.658 -1.156 . . . . 73.04 112.442 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 21.1 m -91.81 128.24 37.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.112 -0.494 . . . . 71.54 110.204 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -52.28 -50.12 62.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.06 -0.518 . . . . 74.14 111.809 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.47 -31.99 72.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 71.24 111.428 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.535 HG21 ' HB2' ' A' ' 4' ' ' SER . 20.6 m -73.04 -31.76 64.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.376 . . . . 75.14 111.423 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.2 -28.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.374 0.607 . . . . 72.41 109.389 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 71.34 110.931 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 17.3 tpp180 -51.75 -35.73 44.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.043 -0.526 . . . . 64.35 111.794 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 55.02 111.398 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -82.48 -28.28 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.781 0.289 . . . . 71.31 111.781 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -52.13 -28.8 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.704 0.631 . . . . 75.52 112.704 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 21.4 mm-40 -63.77 -8.11 9.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.177 0.436 . . . . 54.23 112.177 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -80.59 -14.88 57.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 74.31 110.345 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -96.69 157.54 15.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 75.33 109.881 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -130.74 170.73 13.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.718 0.294 . . . . 72.32 111.603 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 4.3 tmt_? 67.2 90.42 0.09 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.228 -0.896 . . . . 73.24 110.696 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -134.57 -178.61 5.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.636 -0.711 . . . . 75.34 110.426 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -155.75 115.74 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.605 . . . . 71.41 109.499 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -62.1 -27.79 69.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.122 -0.49 . . . . 61.55 112.079 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.29 -51.45 20.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.962 0.411 . . . . 74.2 110.702 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.9 -27.54 64.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.354 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -47.53 -46.98 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 74.0 111.68 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -71.42 -28.01 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 71.13 111.47 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.64 -46.29 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.855 0.36 . . . . 75.22 110.208 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.93 -20.26 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 71.05 110.421 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.21 -36.29 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 65.4 110.472 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -65.71 -38.29 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 74.21 110.826 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -67.98 -39.27 83.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.511 -0.552 . . . . 74.51 109.511 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.593 HD13 HD11 ' A' ' 39' ' ' ILE . 43.2 tp -56.46 -53.9 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.281 -0.872 . . . . 72.22 111.396 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.91 -31.01 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 72.45 111.847 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.04 -2.32 56.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.669 0.248 . . . . 72.11 111.669 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -123.42 -58.91 1.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 73.12 111.469 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.618 HD13 ' HG ' ' A' ' 75' ' ' LEU . 64.5 mt -94.4 -31.8 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.949 -0.569 . . . . 65.24 111.796 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -122.54 54.78 6.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.908 -0.317 . . . . 74.5 111.077 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.84 -58.46 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.437 1.424 . . . . 72.12 112.808 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.33 -15.85 14.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.816 0.341 . . . . 75.51 111.405 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 56' ' ' LEU . 45.8 pt -87.43 2.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.422 -0.354 . . . . 75.21 111.169 -175.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.03 -1.46 63.11 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.886 -0.673 . . . . 73.12 111.616 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 t -88.69 -2.38 58.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.422 . . . . 65.03 110.265 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 m -103.81 124.6 49.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 64.52 110.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.81 167.13 12.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.195 -0.457 . . . . 70.24 110.245 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -59.55 -37.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.192 0.441 . . . . 72.01 112.192 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 72.1 mtm180 -74.66 -35.05 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.757 0.313 . . . . 62.24 111.017 -177.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 78.75 1.41 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.669 ' HB3' ' HG3' ' A' ' 96' ' ' PRO . 31.7 tp -102.27 161.41 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 74.42 109.952 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.4 mmtp -100.79 174.64 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 75.42 112.07 -173.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.2 p -97.23 -161.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.955 -1.02 . . . . 62.11 111.764 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' H ' ' HB ' ' A' ' 53' ' ' THR . 15.9 m -59.12 -0.59 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.898 1.073 . . . . 62.14 113.898 -173.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -63.46 -31.69 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.064 0.459 . . . . 74.45 109.836 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.537 ' O ' HD11 ' A' ' 60' ' ' ILE . 4.1 pp -76.46 -15.51 59.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 71.42 111.685 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.29 -33.24 75.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.64 0.257 . . . . 74.21 111.193 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.55 44.11 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.99 0.737 . . . . 73.54 112.99 -175.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.3 -31.38 43.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.828 1.686 . . . . 72.02 112.938 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.537 HD11 ' O ' ' A' ' 56' ' ' LEU . 1.7 mp -73.97 -24.3 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.304 0.573 . . . . 70.03 109.828 177.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -67.19 -26.18 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 62.13 110.064 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.75 -33.72 64.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.323 -0.853 . . . . 73.21 110.698 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -65.26 -46.29 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.07 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 45.3 t0 -62.6 -37.48 86.42 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.522 -0.763 . . . . 74.13 110.191 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 m -56.65 -39.78 74.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 65.43 110.81 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 m -73.87 -38.81 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.099 0.476 . . . . 73.52 109.866 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 64' ' ' ASP . . . 152.75 -142.71 9.54 Favored Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.336 -1.106 . . . . 71.15 110.336 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 52.86 42.19 31.95 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.113 0.482 . . . . 73.44 111.151 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -17.76 54.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.53 -0.759 . . . . 74.53 111.556 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 14.3 t70 -76.02 -42.59 47.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 62.41 109.905 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.5 t -68.0 -50.6 57.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.417 -0.81 . . . . 74.21 111.254 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.34 -51.3 68.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.055 0.455 . . . . 54.33 110.942 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 30.8 tp60 -60.65 -44.83 95.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.492 -0.777 . . . . 73.53 110.397 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 17.2 tpt180 -55.33 -45.94 76.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.409 -0.814 . . . . 71.14 111.393 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.618 ' HG ' HD13 ' A' ' 39' ' ' ILE . 4.1 mm? -69.05 -41.6 77.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 72.32 111.664 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 19.8 pt20 -67.84 -37.64 82.16 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.609 -0.437 . . . . 70.02 110.472 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.87 -40.37 92.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.773 -0.649 . . . . 71.33 110.05 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' HD3' HD12 ' A' ' 75' ' ' LEU . 60.3 mtp180 -56.45 -44.14 80.2 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.847 177.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 83' ' ' MET . 53.5 t -57.94 -52.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.386 . . . . 62.34 110.795 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 p -61.74 -33.56 74.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.367 . . . . 74.4 111.733 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.31 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.973 0.416 . . . . 74.21 110.558 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.6 mt -63.79 -35.35 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 75.34 111.019 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.814 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 20.7 mmt -58.41 -32.94 69.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.806 0.336 . . . . 61.31 111.01 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.35 -45.99 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.251 0.548 . . . . 70.45 110.262 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -69.07 -29.93 68.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 75.51 110.862 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.37 69.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 53.13 110.729 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 83' ' ' MET . 61.0 t -75.77 -46.62 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.098 0.475 . . . . 74.53 109.79 174.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.44 -43.27 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 65.23 111.156 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -91.09 6.07 46.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.298 -0.41 . . . . 74.31 111.083 -175.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.5 t70 58.31 67.26 0.96 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.477 0.656 . . . . 63.35 111.891 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 89' ' ' ASN . 51.5 m-85 -111.68 -46.82 3.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.793 -0.64 . . . . 73.1 111.35 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 pt -102.18 163.52 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.585 0.587 . . . . 72.12 112.585 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -104.57 -41.83 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.988 -1.005 . . . . 73.01 109.785 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -122.2 169.02 11.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.491 -0.777 . . . . 65.01 109.311 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -108.35 89.82 6.33 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 123.31 0.381 . . . . 71.35 110.611 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.669 ' HG3' ' HB3' ' A' ' 51' ' ' LEU . 43.7 Cg_endo -66.25 -172.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.951 2.434 . . . . 62.4 112.293 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.569 ' HB2' ' HG2' ' A' ' 100' ' ' MET . . . 59.56 30.63 20.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.566 0.698 . . . . 72.12 110.246 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -66.69 127.09 31.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.449 -0.796 . . . . 74.12 110.972 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t70 62.22 24.31 14.46 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.482 -0.781 . . . . 74.52 111.703 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.569 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 4.6 ppp? -75.68 -23.6 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.919 0.39 . . . . 75.22 110.749 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.89 72.44 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 74.13 110.585 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.435 ' O ' HD22 ' A' ' 104' ' ' LEU . . . -128.52 -156.44 8.97 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.794 -0.717 . . . . 64.33 112.328 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 65.03 -81.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.368 0.667 . . . . 73.3 111.958 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.608 HD22 ' H ' ' A' ' 104' ' ' LEU . 2.6 pt? -83.32 -20.82 33.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 73.12 111.198 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -99.21 4.71 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.955 0.407 . . . . 74.04 111.406 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -128.2 110.52 12.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.295 -0.411 . . . . 74.53 110.723 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.7 t -160.24 177.57 10.51 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.03 -0.359 . . . . 63.51 110.03 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.842 ' HE3' ' HA ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER 54.16 86.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.954 0.784 . . . . 64.13 111.45 -177.551 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.18 -57.13 2.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 74.55 110.781 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 110' ' ' ARG . 11.2 ttt180 62.14 119.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.628 0.728 . . . . 71.11 111.651 -178.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.717 ' HD2' ' HD2' ' A' ' 112' ' ' TYR . 18.3 p-80 -105.99 -31.24 8.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 75.31 111.034 -173.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.717 ' HD2' ' HD2' ' A' ' 111' ' ' HIS . 13.7 m-85 -144.97 148.28 38.15 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 74.52 110.055 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 5.9 Cg_exo -78.44 -177.22 3.72 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.141 2.561 . . . . 63.31 112.22 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.2 tp -117.28 -27.66 6.37 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.09 -0.959 . . . . 74.15 108.649 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.16 124.89 39.45 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.4 -1.273 . . . . 72.43 109.978 178.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -104.69 87.25 2.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.194 0.521 . . . . 75.43 110.698 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -106.39 141.46 37.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.507 -0.77 . . . . 71.34 109.286 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -127.71 146.3 50.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.956 -0.298 . . . . 75.41 110.669 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -81.56 152.13 27.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.057 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -84.3 111.17 19.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.153 -0.476 . . . . 70.52 110.618 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.311 -0.852 . . . . 73.21 109.957 176.364 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.866 0.365 . . . . 74.13 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.56 171.12 8.75 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.352 -0.61 . . . . 73.22 109.352 173.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -96.13 96.92 9.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.129 -0.693 . . . . 65.41 109.129 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -101.25 140.1 36.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.112 -0.495 . . . . 73.44 110.551 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.05 170.29 13.75 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 111.171 -0.772 . . . . 38.35 111.171 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.0 76.98 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.42 0.629 . . . . 52.31 110.464 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -76.74 -53.5 7.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.404 -0.816 . . . . 75.01 110.949 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m 55.85 94.75 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.606 0.566 . . . . 63.01 111.735 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.87 -39.59 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.895 -0.593 . . . . 75.0 110.794 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.51 -42.7 92.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.689 -0.687 . . . . 74.32 111.24 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -63.32 -40.44 97.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.93 0.395 . . . . 75.25 111.242 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.55 -32.37 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 72.31 110.646 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.07 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.289 0.566 . . . . 74.13 110.742 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.518 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 28.9 ttt-85 -70.86 -26.43 63.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.399 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -55.12 -52.37 63.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.822 -0.626 . . . . 73.14 111.846 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.758 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.9 p-90 -78.75 -24.67 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.633 -0.427 . . . . 72.12 110.812 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 2.5 t-80 -51.11 -28.56 10.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.201 0.6 . . . . 74.1 111.984 174.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.01 -27.31 68.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.815 0.672 . . . . 63.53 112.815 -174.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 p -92.46 21.6 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.387 0.514 . . . . 73.33 112.387 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -82.83 177.08 8.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.859 0.361 . . . . 72.12 110.908 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HG3' ' HG3' ' A' ' 22' ' ' ARG . 15.4 ptpt -56.92 -56.34 22.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.691 0.626 . . . . 75.34 112.691 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 22' ' ' ARG . 4.8 ppt_? -154.75 129.35 9.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.279 0.561 . . . . 72.33 110.572 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -72.28 97.96 2.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 75.22 111.496 -172.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 p -101.57 38.89 1.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.63 -0.714 . . . . 75.2 110.098 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 3.5 tp10 -58.88 -29.83 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 62.34 111.723 -172.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.06 -51.63 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 64.13 110.502 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -75.48 -28.21 59.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.774 -0.648 . . . . 72.45 110.687 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.579 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -65.33 -24.31 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 74.45 111.298 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -60.61 -38.25 84.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 75.35 110.129 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -68.39 -34.73 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.517 0.675 . . . . 75.51 109.996 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.56 -21.68 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.987 -1.006 . . . . 70.33 111.015 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.99 -34.05 67.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.574 -0.285 . . . . 70.44 111.282 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.9 -43.4 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 74.04 110.307 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' O ' ' HD1' ' A' ' 38' ' ' TYR . 68.4 t80 -75.47 -45.75 36.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.208 -0.906 . . . . 74.33 109.867 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG21 ' A' ' 39' ' ' ILE . 10.2 tt -53.75 -48.75 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.498 -0.773 . . . . 75.14 111.659 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.39 -47.65 66.1 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.235 0.458 . . . . 65.02 112.235 -174.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.84 -2.63 55.21 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.175 0.435 . . . . 55.53 112.175 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.566 ' HD1' ' O ' ' A' ' 34' ' ' TYR . 72.4 m-85 -120.11 5.45 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 74.32 111.315 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.512 HG21 ' O ' ' A' ' 35' ' ' LEU . 7.7 tp -112.69 -43.59 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.638 -0.255 . . . . 75.11 111.014 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 1.1 p90 -147.43 71.07 11.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.553 . . . . 74.42 111.77 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -73.25 -55.14 0.1 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.595 2.197 . . . . 62.55 112.506 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -95.97 -40.62 9.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 73.52 110.872 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 pp -92.9 12.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.001 -0.545 . . . . 72.45 112.14 -173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.616 ' CA ' ' HB2' ' A' ' 40' ' ' PHE . . . -71.87 -17.39 76.85 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.782 -0.723 . . . . 73.45 112.969 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -90.47 15.33 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.105 0.479 . . . . 75.25 111.186 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 m -99.22 158.53 15.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 53.25 110.59 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -88.65 137.83 31.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.402 -0.592 . . . . 74.1 109.402 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.37 -22.03 28.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 112.196 0.443 . . . . 74.31 112.196 -174.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.985 ' HA ' HG21 ' A' ' 92' ' ' ILE . 37.2 ttt180 -75.96 -6.24 50.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.003 0.43 . . . . 74.32 110.416 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -127.76 74.27 1.52 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.758 0.79 . . . . 74.55 110.566 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.86 158.88 16.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 65.14 109.927 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -128.68 177.39 7.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.913 0.387 . . . . 74.05 111.466 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -66.62 -160.34 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.393 -0.821 . . . . 73.45 111.765 179.286 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.557 ' H ' HG23 ' A' ' 53' ' ' THR . 4.0 m -56.57 5.72 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.481 1.289 . . . . 74.53 114.481 -173.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 53' ' ' THR . 77.3 m-70 -62.26 -28.54 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.17 -0.678 . . . . 73.42 109.17 172.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.714 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -63.91 -15.4 58.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.855 -1.066 . . . . 72.41 111.326 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.75 -18.74 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.987 0.366 . . . . 71.22 111.987 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB2' ' HD3' ' A' ' 59' ' ' PRO . . . -56.39 -56.0 36.47 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.57 0.582 . . . . 72.32 112.57 -177.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD3' ' HB2' ' A' ' 58' ' ' ALA . 50.2 Cg_exo -56.59 -37.39 97.64 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.109 1.872 . . . . 75.13 112.834 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.83 HG22 ' HB2' ' A' ' 72' ' ' ALA . 1.9 mp -64.91 -25.53 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 73.11 110.269 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.636 ' HD3' ' OD1' ' A' ' 64' ' ' ASP . 17.7 mmtt -68.14 -24.66 65.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 73.23 111.531 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.92 -49.17 68.94 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.698 -0.853 . . . . 74.32 108.698 173.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.7 t -68.11 -46.23 81.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.505 -0.771 . . . . 72.11 112.062 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.636 ' OD1' ' HD3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -66.45 -40.8 89.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.644 0.259 . . . . 75.1 110.645 -175.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -78.3 -17.58 56.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.631 . . . . 70.23 110.571 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -72.31 -20.31 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 72.41 109.585 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.89 -22.31 4.86 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.694 -0.685 . . . . 71.44 112.172 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -91.93 48.95 1.48 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.145 0.497 . . . . 62.24 110.969 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 1.9 p-80 -65.79 -29.77 70.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 74.54 111.666 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.63 -38.43 67.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.299 0.571 . . . . 75.13 109.85 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.95 -49.5 67.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 53.42 110.354 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -57.73 -36.41 72.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 72.03 111.324 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -57.25 -47.01 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.31 0.576 . . . . 73.4 110.241 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.21 -39.82 76.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.998 -1.001 . . . . 73.31 112.365 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 75' ' ' LEU . 3.3 mm? -60.16 -37.27 79.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.632 0.253 . . . . 75.23 111.302 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -63.44 -43.66 96.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.872 0.844 . . . . 62.5 109.9 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.28 -30.05 70.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.403 -1.272 . . . . 75.11 111.18 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.36 -39.11 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.45 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.4 p -68.66 -34.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 121.058 -0.257 . . . . 65.24 111.531 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -65.18 -30.67 71.59 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.024 0.44 . . . . 74.31 110.374 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.7 77.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.307 -0.406 . . . . 72.44 110.114 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.758 HG12 ' HE1' ' A' ' 16' ' ' TRP . 62.6 mt -61.21 -44.65 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 72.22 110.281 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.773 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 16.9 mmt -60.74 -44.22 96.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 74.31 110.251 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -52.1 -49.53 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.84 -0.618 . . . . 72.52 111.439 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -68.0 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 74.14 111.361 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.54 69.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.523 -0.308 . . . . 41.11 110.962 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 83' ' ' MET . 80.7 t -66.72 -36.86 78.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.355 . . . . 64.42 110.642 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.32 -35.41 65.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 72.23 111.722 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -93.25 2.22 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.416 -0.356 . . . . 71.1 111.825 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 60.56 22.84 12.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.846 0.458 . . . . 64.34 110.452 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.429 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 58.0 t80 -71.42 -40.82 70.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 72.34 111.203 -172.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.985 HG21 ' HA ' ' A' ' 49' ' ' ARG . 7.7 pt -92.49 -87.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.423 0.527 . . . . 75.25 112.423 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.838 ' H ' HG13 ' A' ' 92' ' ' ILE . 15.0 t70 174.58 -77.41 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.087 0.47 . . . . 74.22 109.797 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.4 p -98.49 -176.49 3.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.745 -0.661 . . . . 65.52 109.927 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.97 87.58 19.2 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.993 0.425 . . . . 74.4 110.275 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.79 -175.54 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.007 2.471 . . . . 60.42 112.283 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.87 11.14 3.09 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.142 -0.935 . . . . 54.44 112.109 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 p -76.7 -57.56 3.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 72.42 111.377 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.93 11.34 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.738 0.78 . . . . 63.22 109.891 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt -82.89 88.76 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.588 -0.733 . . . . 73.24 110.183 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.07 126.81 46.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.383 -0.826 . . . . 51.33 110.519 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.06 120.2 5.09 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.906 -0.664 . . . . 73.31 111.859 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB2' ' HB ' ' A' ' 106' ' ' THR . . . -97.43 92.25 5.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.918 0.39 . . . . 74.53 110.39 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.2 mt -66.07 -57.84 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.703 -0.68 . . . . 71.01 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 t -129.5 10.67 5.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 61.42 109.314 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 103' ' ' ALA . 2.5 m -73.19 99.77 2.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 74.31 110.597 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 p -105.5 159.04 16.24 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.277 -0.874 . . . . 72.54 110.465 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -121.05 -172.78 2.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.47 0.652 . . . . 74.3 110.82 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -139.47 12.78 2.55 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.514 -1.221 . . . . 73.24 108.349 172.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -115.22 105.57 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.474 -1.239 . . . . 65.24 109.719 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -123.55 86.4 2.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.852 -0.796 . . . . 71.41 108.852 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -149.43 96.09 3.69 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.444 -0.798 . . . . 73.44 109.59 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.65 178.02 3.98 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.615 2.21 . . . . 71.52 111.697 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.77 -45.57 4.55 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.694 -0.854 . . . . 73.13 108.694 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 49.33 60.62 3.64 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.017 -0.992 . . . . 61.45 110.844 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -124.76 92.94 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.044 -0.98 . . . . 72.43 108.645 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -55.67 116.04 2.69 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.517 0.511 . . . . 73.23 111.22 -175.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -62.17 142.17 57.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 74.44 110.802 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -72.48 118.03 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.959 -0.564 . . . . 73.53 110.431 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -72.56 140.44 48.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.306 -0.861 . . . . 74.03 110.252 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.227 -0.892 . . . . 62.24 109.527 175.551 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 25.3 mmt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.848 -0.427 . . . . 75.34 109.848 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.1 mp0 66.64 16.79 10.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.473 0.654 . . . . 72.03 110.564 -175.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -78.87 67.77 4.67 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.084 -0.962 . . . . 74.13 110.874 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -136.32 36.66 2.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.06 -0.973 . . . . 71.14 109.13 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.86 -94.45 0.63 Allowed Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.986 -1.007 . . . . 65.42 110.77 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.74 63.69 2.14 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.188 0.518 . . . . 72.04 111.537 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.99 36.05 0.17 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.687 -0.688 . . . . 70.14 112.063 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 m -72.87 160.32 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 75.44 110.455 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.791 ' HA ' ' HB ' ' A' ' 48' ' ' ILE . 77.7 t80 -52.72 -46.43 67.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.395 0.517 . . . . 75.13 112.395 -175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.65 -33.23 70.74 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.64 -0.254 . . . . 73.51 111.288 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -54.93 -47.0 75.01 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.409 0.522 . . . . 71.14 112.409 -173.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.599 ' HB ' HD11 ' A' ' 48' ' ' ILE . 42.5 mt -75.34 -32.71 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 61.04 110.666 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.668 ' HB3' HG22 ' A' ' 82' ' ' ILE . . . -67.25 -30.36 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.255 0.55 . . . . 62.12 110.37 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.944 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 32.7 ttt-85 -57.43 -28.57 63.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.396 -0.82 . . . . 74.4 111.827 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 85' ' ' TYR . 11.0 tp10 -54.41 -55.7 26.08 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.909 -0.587 . . . . 71.21 110.771 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.896 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 61.0 p-90 -79.6 -28.08 41.06 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 74.42 110.263 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.944 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 1.2 t-160 -50.21 -44.0 52.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.339 0.655 . . . . 73.3 110.911 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.12 -19.72 64.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.849 0.356 . . . . 73.41 111.53 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -112.55 17.41 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.894 0.378 . . . . 75.21 110.949 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.14 -42.94 59.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 72.51 110.73 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HG3' ' H ' ' A' ' 22' ' ' ARG . 18.2 ptmt -144.38 -64.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.361 . . . . 62.4 111.344 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.474 ' H ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 ttp-105 -162.88 153.37 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 71.33 109.57 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -77.1 132.46 38.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.403 0.621 . . . . 74.04 111.768 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t -179.42 42.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.238 -1.393 . . . . 74.31 107.238 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.517 ' HG3' HH21 ' A' ' 14' ' ' ARG . 5.8 mm-40 -57.86 -23.88 55.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.329 1.603 . . . . 55.2 115.329 -164.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.16 -30.14 15.84 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.335 0.516 . . . . 73.32 111.452 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 31' ' ' VAL . 30.5 p-80 -59.27 -27.64 66.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.378 -0.374 . . . . 75.5 111.955 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.559 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 2.0 ptm180 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.778 0.288 . . . . 74.51 111.778 -173.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -73.71 -31.81 63.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.286 0.565 . . . . 72.01 110.444 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.93 -40.69 46.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.624 -0.716 . . . . 75.21 110.199 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 27' ' ' HIS . 61.1 t -70.09 -15.51 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 73.13 111.259 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 35' ' ' LEU . 57.9 mt -50.57 -36.07 32.97 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.19 0.441 . . . . 72.34 112.19 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -30.39 70.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.946 0.403 . . . . 63.24 110.985 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.19 -41.6 22.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 74.53 109.798 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 32' ' ' LEU . 98.4 mt -60.54 -46.68 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 65.25 111.259 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 50.3 mt-10 -55.46 -35.07 65.1 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.332 0.493 . . . . 72.21 112.332 -177.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.83 -45.51 7.28 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.606 0.595 . . . . 74.02 112.606 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -92.22 -19.18 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.977 0.418 . . . . 72.3 111.29 -172.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.6 HG22 ' CD2' ' A' ' 40' ' ' PHE . 26.4 mm -118.63 119.22 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.823 -0.806 . . . . 71.54 108.823 -175.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.831 ' HB2' HG13 ' A' ' 43' ' ' ILE . 16.0 p90 44.65 60.96 12.09 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.883 -1.053 . . . . 74.21 112.11 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.27 -47.89 11.09 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.982 2.455 . . . . 52.44 114.149 -172.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -100.19 -6.37 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 73.33 111.004 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.831 HG13 ' HB2' ' A' ' 40' ' ' PHE . 12.3 pt -114.26 15.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.115 -174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.26 -6.62 14.85 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 116.014 -0.539 . . . . 62.33 114.211 -176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -91.01 -1.19 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.348 0.574 . . . . 72.04 110.578 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.8 m -92.46 120.39 32.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.026 0.441 . . . . 72.4 110.709 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.518 ' HB2' ' HE ' ' A' ' 49' ' ' ARG . 13.3 m-20 -85.08 164.35 18.26 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.528 -0.545 . . . . 70.15 109.528 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.791 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 16.4 tt -73.11 -20.1 18.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.549 . . . . 75.34 110.293 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.518 ' HE ' ' HB2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -76.68 -9.35 58.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 65.32 110.565 176.232 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -143.06 70.08 1.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.509 0.671 . . . . 71.22 109.682 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 52' ' ' LYS . 5.3 tt -82.51 143.89 30.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.416 -0.811 . . . . 73.14 109.538 -178.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' HD22 ' A' ' 51' ' ' LEU . 97.0 mttt -106.88 176.68 5.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.188 -0.46 . . . . 65.0 111.829 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.792 HG23 ' H ' ' A' ' 54' ' ' SER . 1.7 m -82.32 -163.57 0.7 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.999 -0.546 . . . . 70.22 110.504 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.792 ' H ' HG23 ' A' ' 53' ' ' THR . 2.7 p -64.03 4.79 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.299 1.222 . . . . 75.01 114.299 -171.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.22 -28.7 62.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.316 0.579 . . . . 63.3 109.454 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.762 ' HB2' HD11 ' A' ' 43' ' ' ILE . 3.7 pp -70.74 -16.26 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.385 -0.825 . . . . 74.12 111.248 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 56' ' ' LEU . 61.8 tp -80.53 -20.89 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.677 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.57 -51.43 81.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.081 -0.509 . . . . 71.32 112.269 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 34.4 Cg_exo -60.34 -28.39 86.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.936 1.757 . . . . 72.24 112.951 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.52 ' O ' HG12 ' A' ' 63' ' ' VAL . 45.4 mm -72.34 -23.72 21.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.441 0.639 . . . . 75.43 110.144 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 12.1 mmtt -62.83 -24.79 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.591 -0.731 . . . . 65.33 111.192 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.68 -44.75 73.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.918 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.8 p -77.01 -30.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 62.15 110.557 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.99 -49.02 79.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 73.25 109.955 175.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -74.09 -16.81 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 73.22 110.963 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 t -82.1 8.26 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 72.33 110.585 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.417 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . 97.98 5.69 57.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.806 -0.711 . . . . 72.23 112.853 174.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.712 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -120.8 69.04 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.274 0.559 . . . . 65.14 110.389 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -73.96 -23.98 59.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.731 -0.668 . . . . 74.14 110.993 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 5.5 m-20 -69.9 -50.9 37.78 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.283 -0.417 . . . . 73.33 110.57 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 68' ' ' LYS . 11.7 p -62.85 -33.71 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 74.34 110.686 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.72 85.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.399 . . . . 64.22 110.689 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.506 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.0 mm-40 -72.08 -45.33 61.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.987 -0.551 . . . . 63.41 110.528 176.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 15.0 mmt180 -57.45 -36.02 70.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.901 -0.59 . . . . 72.22 111.156 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.53 ' O ' HG21 ' A' ' 79' ' ' VAL . 84.7 mt -67.03 -55.39 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.545 -0.298 . . . . 72.24 110.854 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 11.0 pt20 -63.84 -43.95 94.65 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.993 0.368 . . . . 72.14 111.993 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -68.62 -33.61 74.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.897 0.332 . . . . 71.41 111.897 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' O ' HG13 ' A' ' 82' ' ' ILE . 85.0 mtm180 -71.21 -21.51 62.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.841 -0.344 . . . . 74.24 111.058 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 75' ' ' LEU . 99.4 t -61.22 -33.2 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.533 -0.303 . . . . 73.43 110.602 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 53.0 p -64.06 -38.17 90.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.661 -0.245 . . . . 52.15 110.718 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.75 76.32 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.135 0.493 . . . . 54.3 110.228 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.896 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 76.9 mt -58.96 -51.21 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.341 176.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.677 ' HE1' ' HD2' ' A' ' 96' ' ' PRO . 21.0 ttt -71.04 -27.01 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.939 -1.028 . . . . 74.34 111.288 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -58.34 -41.15 84.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.845 -175.305 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 15' ' ' GLU . 59.0 t80 -64.59 -33.3 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.418 . . . . 74.0 110.684 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.34 -39.32 65.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.227 0.537 . . . . 74.04 110.491 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.5 -38.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 72.35 110.357 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.7 -40.52 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.982 -0.554 . . . . 74.12 110.717 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -85.97 5.25 34.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.378 . . . . 61.42 110.882 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.23 35.93 25.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.292 -0.867 . . . . 73.42 111.789 174.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -64.54 -35.27 80.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 72.44 110.775 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.92 -34.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.25 0.463 . . . . 71.42 112.25 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.13 50.91 12.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.866 0.841 . . . . 74.11 110.709 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.2 m -153.79 149.34 27.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.311 -0.859 . . . . 71.21 109.7 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.6 85.79 16.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.614 0.245 . . . . 75.41 111.528 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.677 ' HD2' ' HE1' ' A' ' 83' ' ' MET . 4.3 Cg_exo -80.66 -9.84 13.27 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.94 2.427 . . . . 73.13 111.906 173.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.456 ' HA ' ' CG ' ' A' ' 100' ' ' MET . . . -98.44 22.6 9.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 72.1 110.471 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 t -86.15 -51.57 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 65.21 110.748 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.9 -31.9 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.649 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.709 ' HB3' ' HB3' ' A' ' 54' ' ' SER . 4.3 ppp? -66.34 -27.02 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 74.54 111.704 -176.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.82 84.73 7.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.913 0.387 . . . . 64.44 110.251 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.64 144.61 18.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.958 -0.565 . . . . 73.54 111.689 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.38 97.13 10.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.379 0.609 . . . . 53.33 111.167 -176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.54 -1.62 31.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.621 -0.718 . . . . 62.52 110.25 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -86.86 16.51 4.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.456 -0.793 . . . . 73.04 109.697 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.96 0.78 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.555 -0.748 . . . . 73.22 111.741 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.9 p -67.34 123.57 20.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 74.31 110.61 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 10.4 mmpt? 72.72 153.46 0.14 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.885 0.741 . . . . 73.24 110.594 -178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.53 -65.83 0.06 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 73.35 110.486 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -140.23 126.94 20.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.858 -0.61 . . . . 74.54 110.486 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 112' ' ' TYR . 12.9 t-80 -121.21 37.63 4.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.472 -0.936 . . . . 74.22 108.472 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 111' ' ' HIS . 86.6 m-85 71.1 140.35 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.385 0 CA-C-N 114.572 -1.195 . . . . 74.41 110.918 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 22.5 Cg_exo -63.57 113.39 2.09 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.361 2.041 . . . . 44.12 111.26 176.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 115' ' ' GLU . 3.7 pp -91.12 -15.23 29.76 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.196 -0.911 . . . . 61.51 110.494 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HB2' HD13 ' A' ' 114' ' ' LEU . 6.9 tp10 -131.75 142.67 49.83 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.808 -0.633 . . . . 71.12 109.311 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -96.91 161.54 13.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.835 0.35 . . . . 74.52 111.018 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -126.3 161.09 28.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.517 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -99.9 92.47 5.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 75.31 111.322 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -174.05 59.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 65.0 109.166 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -176.6 146.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 73.11 110.087 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.6 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-O 118.307 -0.854 . . . . 73.51 108.896 173.482 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.876 0.369 . . . . 64.1 110.72 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -37.92 75.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.643 . . . . 73.1 110.96 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -119.95 69.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.296 -0.631 . . . . 74.31 109.296 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.0 m -150.92 146.25 26.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.701 -0.682 . . . . 73.42 110.053 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.77 37.85 2.09 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.758 -0.734 . . . . 72.12 112.076 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.33 -72.36 0.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 73.4 111.199 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.09 13.62 6.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.398 -0.593 . . . . 74.14 109.398 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.506 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 6.5 m -47.94 132.13 15.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.873 -1.058 . . . . 65.34 112.411 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -55.7 -37.94 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.519 -0.764 . . . . 72.14 111.207 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -65.48 -44.96 85.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 73.24 110.237 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.506 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 4.9 m -59.87 -43.89 94.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 71.53 110.49 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.84 -38.23 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 74.41 110.788 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -63.38 -29.13 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 75.13 111.206 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -74.22 -37.1 63.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 75.03 110.898 177.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -55.25 -57.25 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.41 111.813 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.485 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 59.3 p-90 -75.28 -28.54 59.8 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.767 -0.373 . . . . 63.43 111.062 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -67.95 -41.94 81.72 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.639 0.237 . . . . 65.33 111.639 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.46 -3.84 9.63 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.935 0.346 . . . . 64.52 111.935 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -62.01 -26.18 68.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -122.89 103.96 8.95 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.396 -0.82 . . . . 72.12 109.809 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 tptt 72.62 110.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.919 0.762 . . . . 72.12 111.252 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -151.3 -37.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.697 -0.401 . . . . 75.11 111.711 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -63.91 -20.95 66.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.393 0.516 . . . . 65.14 112.393 -172.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -81.99 71.19 9.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.994 -0.743 . . . . 62.53 108.994 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.25 -25.19 68.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.799 -1.092 . . . . 70.42 111.922 -173.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.88 -42.83 62.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 60.12 110.455 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -75.88 -26.0 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 71.54 111.418 -177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.772 ' HA ' HG22 ' A' ' 31' ' ' VAL . 25.8 ttt85 -51.73 -36.69 47.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.159 0.429 . . . . 54.44 112.159 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m -61.14 -39.9 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.336 0.588 . . . . 72.34 110.664 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -80.78 -34.5 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.8 -0.636 . . . . 73.53 110.961 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 28' ' ' ARG . 17.2 m -74.21 -15.57 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 73.24 110.273 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.45 -54.18 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.361 -0.607 . . . . 73.35 109.361 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -71.4 -31.17 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.013 0.435 . . . . 74.24 110.4 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' CB ' ' HA ' ' A' ' 31' ' ' VAL . 26.1 t80 -61.11 -29.34 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.502 0.668 . . . . 74.42 110.143 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD22 ' HB ' ' A' ' 39' ' ' ILE . 3.3 tm? -60.02 -47.47 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.043 -0.98 . . . . 74.34 110.579 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 42.7 mt-10 -75.63 -29.99 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.869 -176.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.08 -18.6 36.39 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.536 0.569 . . . . 44.12 112.536 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -126.8 -59.23 1.28 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.466 0.543 . . . . 75.22 112.466 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.6 ' HB ' HD22 ' A' ' 35' ' ' LEU . 38.4 mm -67.95 -53.94 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.503 -0.317 . . . . 72.43 111.638 -170.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' HD2' HD12 ' A' ' 35' ' ' LEU . 43.6 m-85 -124.43 74.9 61.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 120.87 -0.332 . . . . 75.24 110.45 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 43.6 Cg_endo -72.2 -55.46 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.104 1.869 . . . . 72.43 112.688 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -104.53 -15.47 15.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.871 0.323 . . . . 74.14 111.871 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -104.36 12.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.823 0.305 . . . . 74.04 111.823 -174.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.14 7.46 44.54 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.909 -0.663 . . . . 44.33 112.806 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -99.99 -3.24 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.84 0.352 . . . . 74.13 110.813 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -91.18 132.79 35.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.042 0.448 . . . . 74.42 111.37 -176.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -79.74 152.52 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.755 -0.831 . . . . 71.03 108.755 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.83 -29.05 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.782 0.325 . . . . 61.54 111.551 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 5.4 ppt_? -83.75 2.37 38.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.815 0.341 . . . . 73.41 111.194 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -141.02 74.27 1.45 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.703 0.763 . . . . 65.32 110.425 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.78 161.81 13.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.05 -0.977 . . . . 71.3 109.964 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.9 161.05 16.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.351 -0.386 . . . . 75.42 110.45 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -163.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 61.4 109.927 174.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.522 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 4.3 m -48.83 -14.7 0.07 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.303 0.853 . . . . 74.52 113.303 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.59 -30.78 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.551 0.215 . . . . 71.23 111.065 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.579 HD23 ' HE2' ' A' ' 100' ' ' MET . 1.1 pt? -69.73 -15.96 63.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 71.32 110.647 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 103' ' ' ALA . 60.7 tp -77.37 -17.49 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 72.45 110.612 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB1' ' HD3' ' A' ' 59' ' ' PRO . . . -61.55 -50.61 81.8 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.564 -0.289 . . . . 73.11 111.525 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.685 ' HD3' ' HB1' ' A' ' 58' ' ' ALA . 31.9 Cg_exo -63.46 -33.59 68.34 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.846 1.697 . . . . 72.31 112.762 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.35 -23.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 75.04 110.69 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.773 ' HZ2' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.86 -24.05 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.26 -173.738 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -55.86 -32.27 63.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.343 -0.614 . . . . 64.44 109.343 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.21 -33.49 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.753 -0.658 . . . . 72.31 111.637 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.515 ' HB2' ' CB ' ' A' ' 69' ' ' HIS . 1.7 p30 -66.41 -34.96 79.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.066 -0.653 . . . . 61.31 110.394 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -82.04 -34.27 29.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.658 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.1 m -99.48 -41.29 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.293 0.479 . . . . 75.45 112.293 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . -114.99 43.31 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.961 -0.638 . . . . 75.32 112.868 -174.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HE3' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER 66.77 110.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.71 0.767 . . . . 71.24 112.534 176.457 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.515 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . 15.7 p80 -62.61 -24.71 67.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 64.35 110.472 176.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.2 -45.57 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.998 -0.546 . . . . 75.13 110.127 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.82 -45.83 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 50.31 110.371 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.98 89.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.824 -0.626 . . . . 64.23 111.978 -176.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.0 mm-40 -64.73 -49.06 72.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.814 0.34 . . . . 74.43 110.67 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.92 -31.47 70.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.174 0.511 . . . . 61.21 110.239 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 39' ' ' ILE . 5.1 tt -70.24 -51.83 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.663 -0.699 . . . . 73.32 110.505 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.584 HE21 ' HE3' ' A' ' 100' ' ' MET . 0.0 OUTLIER -65.21 -34.25 77.93 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.761 0.282 . . . . 71.32 111.761 -176.683 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.06 -27.04 65.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.177 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -26.01 61.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 71.15 110.678 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.0 -32.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.514 -0.551 . . . . 74.33 109.514 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 97' ' ' ALA . 40.7 m -61.68 -32.77 72.98 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.56 -0.746 . . . . 71.45 110.419 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.38 62.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.608 . . . . 71.24 110.573 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.433 HG12 ' NE1' ' A' ' 16' ' ' TRP . 50.9 mt -63.76 -41.04 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 74.22 110.154 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.656 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -62.65 -34.53 77.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.642 . . . . 74.33 111.135 179.047 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.67 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.256 -0.646 . . . . 74.51 109.256 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.35 -41.82 98.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.649 . . . . 74.3 110.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.654 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -62.88 -36.08 82.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 64.25 111.905 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 83' ' ' MET . 72.7 t -72.1 -44.95 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.571 0.224 . . . . 75.41 110.923 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -66.43 -34.92 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 72.1 111.059 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -89.37 10.56 22.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.448 -0.342 . . . . 74.02 110.724 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.97 59.1 4.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.478 -0.783 . . . . 61.51 112.795 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.654 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 48.6 m-85 -99.12 -42.35 7.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.029 -0.532 . . . . 73.52 109.657 171.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.9 pt -121.86 152.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 73.24 111.071 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.04 -29.5 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.316 0.579 . . . . 71.23 110.105 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.632 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 39.2 m -96.61 146.27 24.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.438 -0.801 . . . . 61.03 109.886 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.04 86.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.528 -0.305 . . . . 73.01 110.297 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.632 ' HD3' ' O ' ' A' ' 94' ' ' SER . 20.8 Cg_exo -65.27 -52.53 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.61 2.207 . . . . 73.21 111.725 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 80' ' ' THR . . . -85.26 67.65 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.989 -0.551 . . . . 71.44 110.275 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.7 t -98.12 -66.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.076 -0.712 . . . . 73.15 109.076 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -126.31 86.1 2.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.839 -0.801 . . . . 74.41 108.839 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.584 ' HE3' HE21 ' A' ' 76' ' ' GLN . 22.0 ptm -100.47 19.79 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.366 -0.833 . . . . 73.4 111.555 -171.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.8 80.62 1.91 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.97 0.414 . . . . 63.35 111.277 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.46 26.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.294 -0.955 . . . . 42.51 112.993 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -89.94 -14.6 33.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.67 0.272 . . . . 71.22 111.433 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.563 HD11 ' H ' ' A' ' 105' ' ' SER . 0.4 OUTLIER -95.91 -34.43 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.457 -0.338 . . . . 74.43 111.608 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.563 ' H ' HD11 ' A' ' 104' ' ' LEU . 23.2 t 61.03 32.84 19.82 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.524 0.678 . . . . 74.43 110.332 176.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 m -76.46 -28.52 56.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.517 -0.765 . . . . 72.25 111.687 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.6 m -73.2 149.35 42.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.913 0.387 . . . . 72.24 110.995 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 8.1 tppt? -135.25 165.19 26.0 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.877 -0.601 . . . . 75.31 109.917 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.36 -58.44 2.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 73.31 110.435 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 57.72 -172.95 0.09 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.641 -0.709 . . . . 73.11 111.919 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -164.71 178.79 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 64.42 110.688 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.25 156.86 48.41 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.038 -0.528 . . . . 74.32 109.973 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.419 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . 45.0 Cg_endo -67.97 164.92 29.92 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.367 2.045 . . . . 73.44 112.008 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 29.4 tp -106.97 26.73 9.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.676 -0.693 . . . . 73.15 109.878 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 113' ' ' PRO . 43.0 mt-10 -52.33 114.09 1.25 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.969 -0.56 . . . . 72.05 110.304 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -117.88 104.57 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.845 -0.616 . . . . 71.33 110.112 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -116.84 122.5 44.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.261 0.553 . . . . 74.23 111.473 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -133.03 -170.2 2.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.406 -0.816 . . . . 75.14 109.419 172.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.5 m170 71.67 23.99 3.6 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.786 0.679 . . . . 71.22 111.413 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -158.71 170.27 22.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.288 -0.634 . . . . 73.32 109.288 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 53.2 t60 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.434 -0.793 . . . . 74.22 109.847 -178.316 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.195 0.521 . . . . 75.43 110.172 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -96.86 -31.06 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.496 -0.775 . . . . 75.22 110.971 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 m120 62.86 -173.54 0.15 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.87 -0.605 . . . . 74.12 111.289 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.4 m -143.27 176.11 9.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 60.54 110.229 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.04 141.82 12.28 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.834 -0.698 . . . . 60.15 112.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.39 138.35 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.082 -0.34 . . . . 54.23 110.082 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -155.55 25.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.947 0.351 . . . . 72.2 111.947 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -94.64 177.7 5.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.767 0.318 . . . . 75.54 111.293 -177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -34.95 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.052 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -38.5 86.8 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.894 -0.594 . . . . 62.02 109.936 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 m -58.35 -36.1 72.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.91 -0.587 . . . . 74.34 111.149 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.72 -47.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.452 . . . . 74.33 110.571 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -71.29 -28.88 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.831 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -62.65 -39.66 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 65.31 110.366 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.67 -59.42 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.967 . . . . 75.1 112.213 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.612 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 56.2 p-90 -79.62 -32.48 41.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.428 0.529 . . . . 73.02 112.428 -171.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.19 -34.96 75.71 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.326 -0.55 . . . . 64.24 111.478 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -78.44 -12.13 59.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.979 0.419 . . . . 65.21 110.837 -175.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 p -110.61 14.61 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.269 0.557 . . . . 70.13 110.034 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 6.0 t-20 -93.87 -153.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.653 -0.703 . . . . 72.52 109.875 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' H ' ' CG ' ' A' ' 20' ' ' ASN . 7.0 tmtm? -44.78 -57.69 3.56 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.541 0.736 . . . . 74.32 112.508 -173.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -147.32 143.76 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.343 -0.543 . . . . 74.43 111.705 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -55.81 137.37 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.083 -0.962 . . . . 73.4 110.483 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 m -133.78 16.05 3.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.608 -0.269 . . . . 72.32 110.978 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 8.4 pt-20 -46.42 -41.35 13.62 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.272 0.841 . . . . 65.53 113.272 -172.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 21.3 t70 -72.73 -51.89 17.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 71.21 111.12 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -70.93 -26.28 63.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.752 -0.658 . . . . 75.41 111.404 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -54.06 -34.9 61.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.243 -0.889 . . . . 73.24 111.282 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -60.55 -35.17 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.071 0.462 . . . . 71.31 111.112 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -74.09 -42.2 60.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 72.14 109.876 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 35' ' ' LEU . 47.5 t -64.93 -38.49 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.256 -0.884 . . . . 74.14 110.624 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.16 -50.04 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 70.43 110.222 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 33' ' ' ARG . 17.0 ttt85 -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.016 -0.538 . . . . 74.21 110.217 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.17 -50.35 72.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.724 -0.671 . . . . 74.4 110.812 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD23 HG12 ' A' ' 31' ' ' VAL . 4.3 pp -73.16 -36.4 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.022 0.378 . . . . 73.55 112.022 -173.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.578 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 79.4 mt-10 -71.49 -30.11 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 73.21 111.497 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 33' ' ' ARG . 8.7 mp -78.35 -46.3 20.38 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.178 -0.209 . . . . 64.12 111.515 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.68 -43.54 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.679 0.622 . . . . 73.45 112.679 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.594 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 41.9 mm -91.47 -22.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.676 0.274 . . . . 71.14 111.591 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 97.3 m-85 -120.35 57.94 5.65 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.487 0.551 . . . . 75.32 112.487 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.594 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 6.1 Cg_exo -79.22 -51.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.238 1.959 . . . . 72.51 111.372 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -103.21 -33.84 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.804 -0.635 . . . . 74.04 110.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 56' ' ' LEU . 38.5 pt -90.32 13.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.01 0.374 . . . . 73.45 112.01 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.8 -7.04 68.83 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.113 -0.565 . . . . 62.43 112.749 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -99.13 15.0 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.752 0.31 . . . . 73.02 110.732 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.7 m -88.32 135.17 33.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 63.41 111.228 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.46 ' OD2' ' HD3' ' A' ' 49' ' ' ARG . 17.3 t70 -88.09 155.82 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.71 -0.677 . . . . 75.15 109.597 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.8 tp -64.61 -21.66 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.975 0.417 . . . . 74.4 111.702 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HA ' ' CG2' ' A' ' 92' ' ' ILE . 7.2 mtp-105 -83.22 -0.6 50.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.574 -0.285 . . . . 70.43 111.64 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -148.91 75.98 1.32 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.745 0.783 . . . . 75.31 110.816 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -87.03 161.76 17.99 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.863 -1.062 . . . . 75.24 109.06 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HB2' HD22 ' A' ' 56' ' ' LEU . 12.6 mptt -115.95 176.05 5.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.291 0.567 . . . . 72.54 111.655 -173.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.7 p -85.4 -163.52 0.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.278 -0.873 . . . . 75.44 111.628 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.419 ' HA ' ' HE3' ' A' ' 100' ' ' MET . 3.0 m -54.3 -18.44 4.0 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.977 1.102 . . . . 73.13 113.977 -173.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -65.33 -26.05 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.398 . . . . 73.32 111.142 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.842 HD22 ' HB2' ' A' ' 52' ' ' LYS . 4.4 pp -72.75 -16.77 61.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.923 0.392 . . . . 74.43 110.907 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -86.92 -16.93 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 74.03 110.647 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -51.45 -50.52 76.08 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.799 -0.637 . . . . 62.21 112.488 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.0 Cg_exo -58.18 -38.05 92.87 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.869 1.713 . . . . 65.04 112.681 178.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.517 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.7 mp -67.71 -24.09 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.068 0.461 . . . . 73.13 110.93 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 8.6 tmtt? -57.98 -26.1 61.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 73.34 111.555 -174.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.079 0.399 . . . . 71.41 112.079 -176.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.0 p -74.33 -31.75 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 74.32 110.451 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -66.19 -45.12 81.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.825 -0.625 . . . . 51.1 109.743 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 m -68.0 -26.6 65.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 65.24 110.94 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -72.16 -3.91 26.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.786 0.327 . . . . 70.34 111.022 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.09 -14.4 26.12 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.828 -0.701 . . . . 62.13 112.604 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.921 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -95.21 77.41 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.557 0.694 . . . . 75.31 110.635 -177.478 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -72.9 -33.83 66.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.748 -1.114 . . . . 75.44 110.231 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 16.4 t70 -56.51 -53.44 57.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.217 -0.902 . . . . 74.43 111.917 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.12 -34.49 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.474 -0.33 . . . . 60.14 111.739 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -67.07 -50.54 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 65.12 110.079 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.99 -45.89 86.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.32 -0.855 . . . . 73.34 110.836 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 69.8 mtp180 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 74.02 111.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 79' ' ' VAL . 3.5 mm? -71.96 -39.2 69.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.978 0.362 . . . . 62.21 111.978 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 15.2 pt20 -67.0 -38.14 85.47 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.61 -0.436 . . . . 74.2 110.658 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 6.3 tp60 -73.07 -20.72 60.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.438 0.637 . . . . 73.44 110.558 175.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.3 tpt180 -72.44 -42.31 65.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 73.31 110.209 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 75' ' ' LEU . 61.3 t -61.94 -43.53 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.804 -0.634 . . . . 75.44 111.193 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.8 p -61.52 -36.25 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 64.52 111.021 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.9 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.948 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.612 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 69.2 mt -66.74 -42.43 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.439 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.758 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -60.21 -35.3 75.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 75.02 110.506 179.466 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -57.27 -41.53 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 75.43 111.114 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 64.7 m-85 -69.61 -29.94 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 75.52 111.328 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.51 61.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.132 0.491 . . . . 74.22 110.445 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' MET . 58.8 t -86.03 -34.65 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 72.04 111.264 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 85' ' ' TYR . 9.2 pt20 -59.54 -38.9 82.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.884 0.373 . . . . 73.43 111.056 -178.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 83.9 m-20 -88.8 -2.83 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 61.42 110.62 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 57.99 79.2 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.614 0.721 . . . . 72.14 111.266 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 89' ' ' ASN . 63.6 m-85 -106.66 -28.87 9.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.721 . . . . 73.11 110.233 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 49' ' ' ARG . 23.5 pt -133.61 144.23 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.705 -0.679 . . . . 73.14 110.32 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -89.75 -12.15 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 73.45 110.168 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 m -87.06 145.21 26.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 74.44 109.6 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -118.82 86.28 30.1 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.927 0.394 . . . . 61.04 110.147 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.47 -164.59 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.754 2.303 . . . . 52.52 111.078 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.746 ' HA ' ' SD ' ' A' ' 100' ' ' MET . . . 57.56 24.19 10.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.038 0.447 . . . . 74.43 111.371 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 m -97.45 143.59 28.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 73.23 110.253 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.38 20.86 11.87 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.924 0.765 . . . . 75.33 110.662 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.746 ' SD ' ' HA ' ' A' ' 97' ' ' ALA . 81.2 mtp -97.43 -44.49 6.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.771 -0.65 . . . . 74.35 109.405 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.53 60.11 6.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.597 -0.729 . . . . 64.42 109.921 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.33 -132.99 1.45 Allowed Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.32 -0.855 . . . . 63.44 111.384 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 63.81 -77.19 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.243 0.617 . . . . 72.03 111.993 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.675 HD21 ' H ' ' A' ' 104' ' ' LEU . 1.5 pt? -84.42 11.16 9.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.995 0.426 . . . . 71.11 111.189 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.4 p -85.75 8.94 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.164 -0.471 . . . . 73.13 111.039 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 p -70.7 94.4 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 71.13 111.682 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.1 p -85.83 145.24 27.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 75.21 110.395 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.546 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 7.5 mmpt? -132.46 137.73 47.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.716 0.293 . . . . 64.35 110.763 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.63 -76.71 0.24 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.58 . . . . 72.41 109.8 173.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 59.11 163.42 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.729 0.812 . . . . 73.13 112.484 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.5 m80 67.5 96.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.617 -0.72 . . . . 75.33 112.761 173.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -155.97 108.51 2.12 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.109 -0.951 . . . . 72.1 109.898 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -81.93 108.17 1.81 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 122.391 2.06 . . . . 74.32 110.918 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.1 tp -73.69 -53.2 10.94 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.096 -0.705 . . . . 62.24 109.096 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 55.82 23.28 6.29 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.233 -0.894 . . . . 72.32 111.437 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -98.19 95.93 7.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.342 -0.614 . . . . 73.23 109.342 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -128.47 95.78 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.357 0.598 . . . . 51.21 110.974 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -141.6 102.28 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 53.12 109.668 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -131.83 138.56 48.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.638 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -164.09 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.118 -0.492 . . . . 62.14 110.589 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 78.2 t60 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.407 -0.806 . . . . 75.34 109.171 -178.131 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.462 -0.57 . . . . 73.21 109.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.01 -23.28 23.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 74.24 110.958 -172.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -90.54 101.97 14.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.967 -0.561 . . . . 54.52 110.495 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.2 m -154.59 11.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.83 -0.623 . . . . 64.44 110.387 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.19 -171.7 20.97 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.603 -0.808 . . . . 37.7 111.945 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.02 2.62 15.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.732 0.301 . . . . 53.53 111.387 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -90.07 10.02 25.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.207 0.527 . . . . 74.41 110.817 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -65.58 153.14 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 71.51 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.632 ' HZ ' HD12 ' A' ' 82' ' ' ILE . 30.2 t80 -51.85 -39.38 58.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.934 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.658 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 6.6 mm-40 -51.91 -40.85 61.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.245 -0.889 . . . . 71.14 112.096 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -57.66 -49.83 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.403 . . . . 73.2 111.551 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.457 HD11 HD13 ' A' ' 48' ' ' ILE . 58.9 mt -75.64 -31.56 23.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 62.53 110.76 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.33 82.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 72.33 111.472 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.658 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 9.5 mpt_? -68.32 -26.35 65.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.393 -0.367 . . . . 74.2 111.706 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.66 -56.2 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.276 0.36 . . . . 74.23 110.677 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.423 ' CZ2' HG12 ' A' ' 82' ' ' ILE . 64.7 p-90 -82.13 -36.42 27.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.244 0.461 . . . . 72.02 112.244 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -63.68 -27.73 69.42 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.109 0.781 . . . . 74.3 113.109 -172.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 57.8 mt-10 -76.18 5.1 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.46 -0.496 . . . . 72.43 111.913 -177.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -90.08 6.82 40.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.43 0.633 . . . . 73.25 109.597 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.12 25.15 1.66 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 74.52 110.439 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 22' ' ' ARG . 73.9 mmtt 70.37 -168.01 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.76 -0.654 . . . . 74.34 112.195 175.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 2.8 mpt_? 71.35 104.37 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.325 -0.852 . . . . 75.24 110.228 -172.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -68.2 -27.72 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 74.41 112.137 -174.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -76.23 107.39 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.024 -0.361 . . . . 73.32 110.024 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.694 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 mp0 -62.39 -27.44 69.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.547 . . . . 65.13 110.726 -174.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -51.17 -30.54 17.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.487 -0.779 . . . . 42.25 112.795 -170.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -27.28 61.91 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.322 0.489 . . . . 74.03 112.322 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.694 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -64.97 -23.5 67.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.677 0.251 . . . . 73.11 111.677 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 38.1 m -77.32 -37.23 52.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.029 0.442 . . . . 63.32 110.693 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -80.26 -38.94 29.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.111 0.411 . . . . 63.53 112.111 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 28' ' ' ARG . 35.0 m -63.18 -16.99 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 121.0 -0.28 . . . . 73.43 111.122 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' OE2' ' A' ' 10' ' ' GLU . 7.4 tt -57.4 -39.76 76.8 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.117 0.484 . . . . 71.15 109.888 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -59.32 -39.94 84.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 73.13 110.409 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -83.27 -38.77 21.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 75.43 110.081 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HG ' ' CG1' ' A' ' 39' ' ' ILE . 10.4 tt -60.29 -35.91 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.856 -0.611 . . . . 73.33 111.072 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -33.31 50.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.895 -0.593 . . . . 73.22 110.9 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.43 -27.04 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 75.1 111.438 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.92 -40.35 47.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.975 -0.557 . . . . 73.25 111.682 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 49.5 mm -95.89 -35.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.957 0.408 . . . . 65.02 110.588 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -119.8 82.49 27.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.403 -0.362 . . . . 75.3 110.596 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.63 -60.12 0.08 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 121.278 1.318 . . . . 41.25 111.574 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -109.2 -17.54 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.413 . . . . 50.3 111.002 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' LEU . 38.4 pt -88.59 14.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.612 0.597 . . . . 43.33 112.612 -169.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.31 5.45 9.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.889 -0.672 . . . . 42.44 113.316 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 p -106.18 5.92 30.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.076 0.438 . . . . 62.32 111.247 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -97.53 145.01 26.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.004 0.431 . . . . 65.33 110.932 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 149.28 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.57 . . . . 72.11 111.094 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.514 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 13.9 tt -77.52 -23.83 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.389 0.614 . . . . 71.31 110.152 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -78.25 -3.5 43.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 74.24 110.731 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -162.38 82.66 0.54 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.317 -0.624 . . . . 75.35 109.317 172.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.659 HD21 ' HE3' ' A' ' 83' ' ' MET . 14.5 tp -95.28 161.72 13.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.093 -0.503 . . . . 73.12 110.38 -176.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -111.46 174.88 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.001 -0.545 . . . . 74.2 111.966 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -162.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.387 -0.824 . . . . 71.04 112.56 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.06 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.274 1.212 . . . . 71.23 114.274 -170.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -67.23 -28.69 68.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 74.43 108.709 173.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 3.2 pp -68.18 -14.42 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.843 -1.071 . . . . 73.14 111.886 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.85 -27.9 65.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 -0.242 . . . . 75.42 111.613 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.1 -54.14 53.65 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.138 0.421 . . . . 72.11 112.138 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -61.43 -32.6 88.94 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.062 1.842 . . . . 72.42 112.835 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mm -71.05 -32.03 46.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 72.33 109.951 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.629 ' HB2' ' HZ1' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.79 -25.21 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.729 -0.669 . . . . 73.23 110.012 -176.823 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.08 -28.49 62.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.337 -0.847 . . . . 73.41 110.042 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.55 -36.42 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.733 -0.667 . . . . 73.44 111.646 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.94 -36.83 72.76 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.495 -0.482 . . . . 62.14 110.978 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 m -82.28 -44.45 16.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.207 -0.452 . . . . 74.23 112.117 -175.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.7 m -107.14 7.2 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.205 0.446 . . . . 73.04 112.205 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -138.89 4.0 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.783 -0.722 . . . . 53.13 111.777 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.634 ' HB2' HG13 ' A' ' 71' ' ' VAL . 46.3 mtpt -90.51 113.26 25.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.829 0.347 . . . . 64.34 110.328 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -59.6 -33.31 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.829 -0.623 . . . . 75.43 112.668 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.82 -44.18 42.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.86 0.362 . . . . 63.21 111.27 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 68' ' ' LYS . 8.4 p -65.41 -32.75 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.715 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.96 90.9 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.594 -0.275 . . . . 53.11 111.274 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -62.42 -44.13 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.404 0.621 . . . . 74.44 110.877 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 38.5 mtp180 -65.22 -32.29 73.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.431 -0.804 . . . . 73.4 110.624 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 3.0 tm? -69.37 -51.48 36.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.053 -0.521 . . . . 74.34 110.76 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 3.4 pt20 -63.88 -39.03 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 74.31 111.471 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -59.83 -28.93 67.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.199 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.557 ' O ' HG13 ' A' ' 82' ' ' ILE . 61.3 mtt180 -61.31 -36.04 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.211 -0.45 . . . . 75.25 111.046 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.62 -41.74 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.111 0.482 . . . . 65.44 110.598 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 m -65.28 -30.45 71.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 73.13 110.648 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 84' ' ' ARG . . . -74.15 -24.73 59.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 74.13 111.081 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.632 HD12 ' HZ ' ' A' ' 9' ' ' PHE . 67.4 mt -75.18 -36.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 73.33 110.6 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.659 ' HE3' HD21 ' A' ' 51' ' ' LEU . 24.8 mmt -57.72 -39.46 77.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.489 -0.778 . . . . 70.33 112.821 -173.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 16.6 ptm180 -57.64 -39.72 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.542 0.21 . . . . 72.01 111.42 -177.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -77.62 -30.45 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 74.11 110.773 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.79 73.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.955 0.407 . . . . 73.43 110.505 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.841 HG23 HD21 ' A' ' 95' ' ' ASN . 63.3 t -69.92 -14.82 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.902 -0.59 . . . . 74.32 111.547 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 14.7 mm100 -54.26 -40.53 67.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.853 0.359 . . . . 75.23 110.656 175.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -105.23 -16.73 14.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.021 -0.733 . . . . 73.12 109.021 171.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 44.9 t0 57.9 90.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.489 -1.232 . . . . 63.22 112.415 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -101.93 -10.41 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 71.11 110.072 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.704 HD11 ' H ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -99.88 -33.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.958 -0.564 . . . . 63.22 111.929 -173.422 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 63.3 26.69 15.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.401 0.619 . . . . 75.12 111.133 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -152.51 -14.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.709 0.633 . . . . 75.55 112.709 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.841 HD21 HG23 ' A' ' 87' ' ' VAL . 16.1 t-20 47.64 76.6 0.53 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.575 0.35 . . . . 71.41 111.297 -171.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.692 ' HD3' HG13 ' A' ' 92' ' ' ILE . 2.9 Cg_exo -76.51 -171.23 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.795 2.33 . . . . 61.2 112.002 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 64.94 3.18 2.0 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.67 -0.696 . . . . 75.25 111.478 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.6 p -77.31 -64.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.437 -0.579 . . . . 71.41 109.437 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.46 79.58 8.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.614 -0.884 . . . . 71.23 108.614 172.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -155.72 -52.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 71.31 108.963 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.74 156.93 32.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 71.41 108.949 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.39 -139.34 2.75 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 37.7 112.636 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.34 97.04 9.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.822 0.344 . . . . 65.55 110.55 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.32 -69.13 0.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.306 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -140.66 41.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.038 0.446 . . . . 75.24 110.655 -173.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 p -82.91 91.04 7.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 74.43 111.158 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 m -149.23 155.07 40.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.504 . . . . 74.52 110.017 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -150.74 175.27 12.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.057 -0.349 . . . . 73.45 110.057 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -160.61 29.09 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.934 -0.576 . . . . 64.34 110.6 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -51.72 123.63 10.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.517 -0.765 . . . . 75.34 111.9 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -147.52 95.64 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 73.1 110.963 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -161.06 103.76 1.26 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 73.22 109.592 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.58 -79.21 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.915 2.41 . . . . 73.21 112.184 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.5 tp -142.49 -41.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.826 -0.435 . . . . 71.25 109.826 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 70.53 -70.29 0.16 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.977 -1.011 . . . . 72.44 111.773 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -68.71 112.7 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.165 0.507 . . . . 61.32 110.667 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -126.17 106.46 9.58 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.531 -0.759 . . . . 72.34 109.514 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -141.25 134.75 29.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.93 -0.577 . . . . 64.25 109.524 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -111.24 120.33 41.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.987 0.423 . . . . 74.25 111.424 -176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -104.11 169.12 8.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.607 . . . . 74.15 109.559 173.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.727 -0.654 . . . . 73.41 109.527 175.577 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtm . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.959 -0.385 . . . . 74.11 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.98 149.87 23.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 75.2 111.037 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.39 99.38 3.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.68 -0.691 . . . . 73.44 109.495 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -95.09 101.75 13.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.37 -65.32 2.02 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.656 -0.978 . . . . 51.14 110.656 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 47.78 59.97 3.84 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.291 0.636 . . . . 53.34 112.277 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.843 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 21.6 p90 -73.41 97.08 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.198 0.999 . . . . 70.55 109.387 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -139.56 151.23 45.92 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.859 -1.064 . . . . 73.1 109.871 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -55.11 -42.39 72.88 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.377 0.423 . . . . 72.32 110.24 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.38 -38.6 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.815 -0.629 . . . . 75.14 111.451 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -63.07 -43.63 98.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.139 0.495 . . . . 72.05 110.585 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.96 -43.49 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.657 . . . . 75.4 110.438 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.515 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.95 -33.86 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.789 -0.641 . . . . 75.22 110.949 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -34.23 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 74.44 110.752 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.27 -59.02 5.97 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.088 -0.506 . . . . 62.04 111.527 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 50.5 p-90 -79.25 -24.39 43.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.728 -0.389 . . . . 74.23 110.843 -176.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.71 -31.03 69.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.503 -0.317 . . . . 71.41 111.166 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.16 -21.61 63.05 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.649 0.261 . . . . 74.1 111.046 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -60.92 -34.06 74.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.613 -0.267 . . . . 73.41 110.45 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' HB3' ' H ' ' A' ' 21' ' ' LYS . 26.5 m-20 59.14 -162.12 0.25 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.856 0.687 . . . . 72.12 112.856 173.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HB3' ' H ' ' A' ' 22' ' ' ARG . 9.6 tptp -145.44 -85.74 0.12 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.497 -0.774 . . . . 75.22 109.399 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 14.3 ttt-85 -106.51 178.89 4.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.25 -1.341 . . . . 72.31 108.784 174.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.422 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 5.5 m-90 -75.62 107.67 7.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.009 0.433 . . . . 75.14 111.434 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 70.7 m -157.01 33.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.209 -0.663 . . . . 72.32 109.209 175.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 3.6 tp10 -53.37 -49.67 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 74.31 112.696 -170.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.36 -31.05 68.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.114 0.483 . . . . 72.44 110.238 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -75.54 -24.12 56.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.281 -0.872 . . . . 64.31 111.12 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 1.4 mpt_? -49.52 -32.6 12.7 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.024 0.75 . . . . 74.52 113.024 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -61.85 -44.24 97.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 64.53 110.503 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -61.32 -38.69 87.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.057 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.67 -39.09 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.55 -0.75 . . . . 72.11 110.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.76 -40.72 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.956 -0.566 . . . . 71.34 109.682 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.5 mtt180 -65.98 -43.91 86.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.601 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.43 -40.56 87.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.15 110.606 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.806 ' HA ' HD13 ' A' ' 39' ' ' ILE . 3.4 tt -61.64 -42.13 98.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.775 -0.648 . . . . 54.32 109.645 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 4.3 tm-20 -65.98 -37.65 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.615 . . . . 74.21 110.371 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 33' ' ' ARG . 92.9 mt -71.71 -48.49 46.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.509 0.559 . . . . 73.22 112.509 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -98.87 -38.4 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.581 . . . . 72.42 112.57 -171.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.806 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.9 mp -83.73 -30.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 73.2 110.259 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.532 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 31.0 m-85 -116.77 56.38 1.57 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.596 174.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.81 -57.14 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.339 1.359 . . . . 73.24 112.661 -169.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -106.18 -22.64 12.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.488 -0.324 . . . . 70.42 111.057 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.506 ' HB ' HD12 ' A' ' 56' ' ' LEU . 2.6 pp -107.39 14.65 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.068 0.766 . . . . 74.44 113.068 -167.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.532 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -73.04 5.88 16.43 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.004 -0.617 . . . . 71.15 113.208 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 p -82.21 -11.31 58.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 65.51 111.347 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.5 m -92.63 132.55 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.211 0.529 . . . . 61.44 111.885 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.94 165.87 11.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 73.2 109.227 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.429 ' HA ' HD21 ' A' ' 51' ' ' LEU . 10.4 tp -60.76 -28.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.709 0.262 . . . . 74.24 111.709 -176.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.843 ' HD3' ' HE2' ' A' ' 7' ' ' TYR . 34.1 ttp180 -70.48 -21.63 62.75 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.011 0.434 . . . . 75.21 110.588 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -133.15 74.7 1.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.419 0.628 . . . . 64.24 109.831 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -97.06 140.17 31.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.405 -0.816 . . . . 74.21 110.053 -176.673 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.23 173.17 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.075 0.464 . . . . 37.66 111.088 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.61 HG23 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -92.6 -162.48 0.94 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.718 -0.674 . . . . 55.31 109.836 -178.696 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.61 ' H ' HG23 ' A' ' 53' ' ' THR . 6.2 m -56.96 -7.8 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.992 0.738 . . . . 74.05 112.992 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -67.1 -27.65 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 71.54 109.568 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.506 HD12 ' HB ' ' A' ' 43' ' ' ILE . 17.6 tp -66.06 -20.31 66.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.016 -0.993 . . . . 74.41 110.76 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' HB2' ' HE1' ' A' ' 100' ' ' MET . 68.5 tp -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 70.11 111.429 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -50.43 -52.4 55.4 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.922 0.712 . . . . 72.34 112.922 -176.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.2 Cg_exo -61.82 -38.98 55.58 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.875 1.716 . . . . 73.1 112.969 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.569 ' O ' HG11 ' A' ' 63' ' ' VAL . 3.2 mp -72.39 -24.65 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.159 0.504 . . . . 63.03 110.298 -176.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -68.99 -24.42 64.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 64.31 109.602 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.95 -39.67 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 74.32 111.614 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 60' ' ' ILE . 8.3 p -71.49 -29.06 33.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.683 0.278 . . . . 74.02 110.688 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.54 -49.53 74.96 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.102 0.477 . . . . 63.42 109.793 175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -65.26 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 70.43 110.686 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -62.7 -40.36 96.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.169 -0.468 . . . . 64.5 110.53 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.62 -30.42 0.93 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.083 -1.056 . . . . 55.31 113.481 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.0 mtpt -96.42 82.72 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 61.45 111.282 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -73.8 -30.01 62.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.143 -0.935 . . . . 74.51 110.467 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 21.1 t70 -56.76 -47.68 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 73.32 111.695 -175.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.404 ' O ' HD11 ' A' ' 75' ' ' LEU . 52.6 t -59.59 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.456 . . . . 53.5 110.91 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.06 -45.14 79.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.106 -0.497 . . . . 71.14 111.517 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -62.83 -46.65 86.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.055 -0.521 . . . . 64.21 111.268 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.489 ' HD2' ' O ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -60.28 -32.76 71.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 65.31 111.609 178.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' O ' HG22 ' A' ' 79' ' ' VAL . 6.7 mp -63.72 -47.68 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.736 -0.211 . . . . 72.51 111.193 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -56.28 -43.69 79.09 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.578 0.704 . . . . 75.0 109.977 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.55 -39.74 73.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.186 -1.37 . . . . 75.44 111.112 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' O ' HG13 ' A' ' 82' ' ' ILE . 64.5 mtt180 -82.46 -23.58 34.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 74.35 111.61 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 75' ' ' LEU . 86.4 t -66.35 -45.97 88.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 64.1 110.386 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 t -69.55 -29.96 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 73.4 110.019 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.26 -31.92 73.2 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.045 -0.525 . . . . 53.33 110.479 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 78' ' ' ARG . 85.7 mt -76.24 -44.78 36.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 61.41 110.359 173.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.614 ' HG3' HD11 ' A' ' 92' ' ' ILE . 47.6 ttm -60.13 -35.94 76.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 74.44 112.404 -175.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.15 -31.24 70.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.415 0.15 . . . . 74.34 111.33 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -69.19 -40.77 77.88 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.086 0.47 . . . . 72.24 110.19 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 73.45 110.505 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.62 -33.6 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.077 -0.511 . . . . 70.24 110.492 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -63.97 -43.68 95.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.733 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -87.11 6.03 34.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.519 -0.31 . . . . 71.33 111.197 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.36 35.85 14.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.485 0.66 . . . . 62.01 110.987 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -76.3 -45.59 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.3 -0.629 . . . . 75.32 109.3 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.614 HD11 ' HG3' ' A' ' 83' ' ' MET . 37.8 pt -130.55 148.82 33.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.521 -0.763 . . . . 75.21 109.952 177.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -112.88 -22.89 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.242 0.544 . . . . 74.11 110.186 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 18.7 m -92.11 138.25 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 71.15 110.537 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -115.78 85.26 14.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.465 -0.334 . . . . 73.31 110.418 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 94' ' ' SER . 6.1 Cg_exo -79.0 -35.39 0.94 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.797 2.331 . . . . 41.44 112.878 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.07 -2.31 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.34 -0.391 . . . . 60.21 111.741 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -74.4 -10.0 59.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.38 . . . . 61.53 111.334 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -100.89 -4.14 28.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.049 0.452 . . . . 62.41 110.57 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.561 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 80.2 mtp -62.57 -39.19 92.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.972 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.05 10.27 17.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 64.14 111.039 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.29 -59.21 3.4 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.831 -0.699 . . . . 64.14 111.704 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.58 115.75 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 72.15 110.538 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.584 HD21 ' H ' ' A' ' 104' ' ' LEU . 1.7 pt? -115.11 -7.8 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.104 0.478 . . . . 72.33 110.301 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 m -93.37 3.27 55.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.803 -0.635 . . . . 73.0 110.525 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -77.06 99.16 5.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.418 0.627 . . . . 75.32 111.071 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 77.7 p -110.5 -173.5 2.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.27 -0.877 . . . . 72.53 110.256 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.623 ' HE3' ' N ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER 78.35 144.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.554 0.741 . . . . 74.31 111.8 178.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -178.04 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.716 -1.129 . . . . 71.03 110.243 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -115.63 164.57 14.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.679 -0.692 . . . . 73.11 110.542 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -114.79 -172.1 2.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 63.42 109.214 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -73.61 141.83 80.03 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.109 -0.237 . . . . 73.15 110.504 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -47.68 144.55 10.74 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.786 2.991 . . . . 37.66 113.377 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.595 ' H ' HD22 ' A' ' 114' ' ' LEU . 2.1 pt? -66.41 -33.46 75.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.917 -1.038 . . . . 72.12 110.882 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.25 134.59 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.788 -0.449 . . . . 74.42 109.788 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -144.28 1.45 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.864 -0.607 . . . . 74.14 109.742 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -88.18 -174.78 4.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 74.05 110.663 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -140.04 107.93 5.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.93 -0.577 . . . . 73.41 110.015 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -76.3 125.81 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 74.34 109.889 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -77.19 57.89 1.5 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.007 0.432 . . . . 71.34 111.523 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.549 -0.739 . . . . 72.13 109.563 176.441 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.525 0.678 . . . . 71.4 109.788 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 p -74.47 -179.31 3.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.069 -0.968 . . . . 62.3 112.902 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.693 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 t80 -57.74 -25.82 60.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.91 -1.041 . . . . 63.11 111.384 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.36 -54.91 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 62.41 111.774 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.6 m -73.08 -30.69 63.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.883 -0.599 . . . . 73.11 111.79 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.87 -34.31 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.996 0.427 . . . . 74.13 110.441 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB2' HD11 ' A' ' 82' ' ' ILE . . . -67.58 -31.9 72.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.222 0.534 . . . . 74.22 110.732 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.526 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 5.2 tmm_? -72.95 -34.6 66.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 72.2 110.056 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 55.5 mm-40 -56.58 -54.1 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.598 0.592 . . . . 74.13 112.598 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.796 ' HE1' HG12 ' A' ' 82' ' ' ILE . 38.1 p-90 -77.19 -24.99 51.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.34 -0.544 . . . . 75.13 111.073 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 25' ' ' GLU . 45.0 t60 -67.02 -34.03 76.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.48 0.548 . . . . 65.43 112.48 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.83 -10.58 54.1 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.101 0.408 . . . . 72.42 112.101 -172.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 -4.46 56.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.277 0.561 . . . . 74.34 109.831 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 63.07 92.87 0.06 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.733 -1.121 . . . . 64.35 111.345 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 3.0 tmtp? -104.58 -35.15 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.603 -0.726 . . . . 61.03 109.545 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HG2' ' H ' ' A' ' 23' ' ' TRP . 26.7 ttt180 -141.33 169.0 18.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.458 -0.571 . . . . 72.34 109.458 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.434 ' HE3' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -102.07 -172.13 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.426 0.454 . . . . 73.24 111.645 -172.365 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.434 ' HB2' ' HE3' ' A' ' 23' ' ' TRP . 12.6 t 71.95 22.88 3.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.485 -0.78 . . . . 74.23 110.731 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' A' ' 17' ' ' HIS . 10.4 pt-20 -69.45 -27.23 65.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.658 . . . . 73.12 111.519 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.9 -39.27 77.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.943 -0.571 . . . . 60.14 111.19 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.7 t-80 -76.13 -28.49 57.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 74.53 111.04 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.431 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 7.5 mmt180 -62.7 -23.6 67.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.422 -0.808 . . . . 73.02 112.245 -171.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -55.06 -47.63 74.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.721 0.296 . . . . 64.12 110.726 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -82.57 -42.08 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 70.52 110.855 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' HIS . 61.1 t -57.92 -22.25 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 115.875 -0.602 . . . . 73.21 111.775 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -50.56 -41.82 54.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 42.2 111.429 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.07 -48.78 79.1 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 74.4 111.298 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.99 -36.75 80.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 43.3 110.424 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.548 ' O ' HG22 ' A' ' 39' ' ' ILE . 1.9 tm? -67.12 -58.14 5.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.735 -0.666 . . . . 63.54 110.549 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 11.0 mm-40 -53.81 -39.54 65.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.94 0.4 . . . . 74.12 111.637 -175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.11 -38.91 89.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.069 -0.514 . . . . 73.15 111.578 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.67 -22.06 18.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 74.23 112.493 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 75' ' ' LEU . 8.2 tp -82.66 -30.72 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.466 -0.494 . . . . 54.32 110.28 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' CD2' HG23 ' A' ' 39' ' ' ILE . 8.6 m-85 -122.33 71.07 34.69 Favored Pre-proline 0 C--N 1.331 -0.209 0 N-CA-C 109.771 -0.455 . . . . 65.52 109.771 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.1 Cg_endo -81.6 -55.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.624 2.216 . . . . 60.41 112.231 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -101.91 -2.44 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.027 -0.533 . . . . 73.02 109.907 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.572 HG21 ' HB2' ' A' ' 56' ' ' LEU . 37.1 pt -121.68 13.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.713 -0.676 . . . . 71.43 111.328 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.93 10.99 30.16 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.659 -0.781 . . . . 74.44 112.539 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -107.61 9.85 29.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.787 0.327 . . . . 65.14 111.186 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -116.67 157.29 25.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.809 0.338 . . . . 55.31 111.188 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.79 161.39 16.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 72.25 110.238 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 9' ' ' PHE . 9.4 tt -63.75 -26.66 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 74.42 111.158 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -87.12 7.69 26.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.39 -0.368 . . . . 73.01 111.117 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -141.3 71.91 1.37 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.806 0.813 . . . . 61.22 110.644 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.2 mm? -95.37 162.07 13.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.114 -0.948 . . . . 65.04 109.643 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -123.4 176.48 6.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.541 -0.3 . . . . 73.03 111.037 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.824 HG22 ' H ' ' A' ' 54' ' ' SER . 2.1 m -72.9 -165.14 0.2 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.727 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.824 ' H ' HG22 ' A' ' 53' ' ' THR . 13.9 m -70.46 15.88 0.09 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.232 0.827 . . . . 54.44 113.232 -171.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -73.88 -28.44 61.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.839 -0.8 . . . . 63.32 108.839 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.572 ' HB2' HG21 ' A' ' 43' ' ' ILE . 3.3 pp -71.39 -13.69 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.933 -1.031 . . . . 74.2 111.792 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 60' ' ' ILE . 59.8 tp -72.78 -17.52 61.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 71.12 111.204 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.85 -53.09 61.69 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.01 0.744 . . . . 74.25 113.01 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 25.0 Cg_endo -63.72 -28.21 68.56 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.744 1.629 . . . . 70.41 113.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' ' 63' ' ' VAL . 42.8 mm -71.33 -24.78 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.728 0.775 . . . . 60.42 109.45 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 7.0 tmtm? -70.18 -24.24 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.305 -0.861 . . . . 53.11 109.73 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.14 -48.33 80.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 70.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.6 p -71.74 -28.66 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.227 0.536 . . . . 71.44 110.274 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.802 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 2.9 t70 -57.24 -42.34 81.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 52.33 110.038 173.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -66.7 -24.86 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.508 -0.769 . . . . 62.02 111.824 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -72.15 -5.07 32.91 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.753 0.311 . . . . 75.51 111.626 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.62 -3.76 65.82 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.698 -0.763 . . . . 63.01 111.51 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.63 ' O ' HG22 ' A' ' 71' ' ' VAL . 9.6 mmpt? -98.88 26.21 5.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.125 -0.695 . . . . 75.12 109.125 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.802 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.1 p80 -51.15 -24.82 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.762 -1.108 . . . . 64.44 113.554 -171.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 17.1 t70 -64.86 -32.31 73.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.7 0.286 . . . . 70.32 110.979 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 68' ' ' LYS . 14.0 m -65.93 -32.78 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.557 -0.292 . . . . 54.34 110.922 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.47 82.2 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.951 0.405 . . . . 62.52 110.692 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.555 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.3 mm-40 -64.09 -44.1 93.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.746 -0.661 . . . . 41.3 110.719 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 20.8 mmt180 -60.96 -34.63 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 63.14 110.484 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.685 ' HB3' HD13 ' A' ' 39' ' ' ILE . 98.5 mt -73.51 -51.12 18.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 74.32 111.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.555 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 18.2 pt20 -58.66 -38.19 77.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 65.11 111.834 -175.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 27.4 mt-30 -53.28 -28.12 26.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 71.44 112.149 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.53 ' NH1' HD12 ' A' ' 35' ' ' LEU . 67.9 ttt180 -64.55 -53.89 40.84 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.935 -0.306 . . . . 74.41 110.827 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.52 ' HA ' ' HZ ' ' A' ' 9' ' ' PHE . 15.0 p -70.3 -35.46 62.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 121.004 -0.279 . . . . 72.11 110.802 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -64.18 -45.89 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.03 110.861 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.74 -50.01 54.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 64.31 111.176 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.796 HG12 ' HE1' ' A' ' 16' ' ' TRP . 61.9 mt -60.07 -40.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.356 . . . . 74.53 111.361 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.5 ttm -62.08 -29.06 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 73.32 110.95 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 27.0 mmt180 -68.73 -39.93 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.694 -0.23 . . . . 71.44 110.542 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -68.19 -34.21 75.85 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.627 -0.509 . . . . 74.41 109.627 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.657 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 75.14 111.191 177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 75.9 t -74.65 -34.4 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.238 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.82 -28.08 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 71.32 110.4 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -89.74 -5.78 56.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 75.13 110.314 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.382 -0.826 . . . . 45.11 112.892 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 86' ' ' ALA . 52.8 p90 -98.35 -2.08 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.979 -0.689 . . . . 72.5 111.521 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.7 pt -114.31 -18.73 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.474 -0.33 . . . . 65.42 110.311 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 t70 71.16 -57.39 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.361 -0.836 . . . . 74.43 112.254 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.9 t -92.94 178.43 5.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.778 0.323 . . . . 70.11 110.534 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 98' ' ' SER . 3.2 t-20 -124.75 86.58 55.79 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 116.324 -0.398 . . . . 72.3 110.047 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.94 -52.39 7.48 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.142 2.561 . . . . 72.54 113.007 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' A' ' 100' ' ' MET . . . -100.71 84.61 2.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 44.35 110.379 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.44 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 14.9 t -77.67 -23.34 49.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.314 -0.857 . . . . 70.23 110.313 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -123.66 -66.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.927 -0.579 . . . . 64.41 110.064 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.636 ' HB2' ' HB1' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 58.42 86.39 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.528 -0.76 . . . . 64.21 111.386 178.285 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.51 ' HB3' ' NE2' ' A' ' 76' ' ' GLN . . . . . . . . 0 C--O 1.235 0.319 0 CA-C-N 115.621 -0.718 . . . . 74.22 111.644 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 121.338 0.59 . . . . 64.14 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 9' ' ' PHE . 1.9 m -100.99 -170.43 1.84 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.305 -0.861 . . . . 62.12 109.05 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.824 ' HA ' HD12 ' A' ' 48' ' ' ILE . 56.3 t80 -48.87 -41.77 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.797 0.439 . . . . 75.12 111.723 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.497 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -64.3 -32.22 73.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.608 0.595 . . . . 74.01 112.608 -176.2 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.2 m -67.46 -43.06 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 72.3 111.024 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.44 -37.21 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.067 0.461 . . . . 54.33 110.193 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -61.0 -42.58 98.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 52.42 111.895 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 14' ' ' ARG . 2.4 ptm180 -72.41 -28.48 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.828 -175.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.26 -60.16 3.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.603 -0.726 . . . . 74.3 111.688 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HE1' HD13 ' A' ' 82' ' ' ILE . 59.4 p-90 -80.98 -23.67 38.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.514 . . . . 74.04 111.283 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.646 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 2.0 t-80 -49.54 -27.99 5.03 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.83 0.678 . . . . 70.1 112.83 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.01 -42.73 72.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.082 0.468 . . . . 75.13 110.93 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 m -70.54 -22.84 62.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 65.04 110.909 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -83.95 -80.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 71.14 109.61 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tptt 177.69 143.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 73.55 109.988 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 73.67 115.78 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.482 0.919 . . . . 63.23 113.482 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 p90 -121.84 137.15 54.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.932 -1.031 . . . . 72.23 108.268 166.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.425 ' HB3' ' HB2' ' A' ' 27' ' ' HIS . 50.9 m -153.13 54.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 71.54 111.407 -174.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -58.93 -35.16 72.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.235 -0.438 . . . . 75.14 111.512 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.83 -35.9 82.59 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.17 0.51 . . . . 73.24 110.79 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 24' ' ' SER . 13.3 m170 -75.14 -28.81 60.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 70.14 110.653 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.28 -32.14 10.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.215 -0.902 . . . . 64.55 112.544 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 t -65.89 -52.27 51.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.662 0.245 . . . . 72.32 111.662 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -83.94 -33.76 24.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.243 0.46 . . . . 73.13 112.243 -177.068 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.61 -20.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.716 0.293 . . . . 75.44 111.586 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.96 -26.77 16.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.17 -0.468 . . . . 44.14 111.786 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -56.08 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 73.3 110.295 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -71.92 -26.56 62.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.402 -0.363 . . . . 72.35 110.574 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' HB ' ' A' ' 39' ' ' ILE . 2.6 tm? -51.77 -54.38 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.778 -0.646 . . . . 72.13 110.446 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.76 -28.69 61.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.096 0.406 . . . . 73.3 112.096 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.38 -47.43 76.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.393 . . . . 71.53 111.785 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.524 ' HD1' ' H ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -114.98 -15.11 11.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 72.03 111.712 -175.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.512 HG22 ' CD2' ' A' ' 40' ' ' PHE . 48.9 mm -115.1 114.48 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.416 -0.957 . . . . 75.13 108.416 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 69.1 m-85 71.29 54.42 0.39 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.525 -1.216 . . . . 73.11 110.756 -174.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 23.8 Cg_exo -63.57 -57.83 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.535 1.49 . . . . 73.41 111.412 -176.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 -41.03 5.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.188 0.518 . . . . 72.52 110.694 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.464 ' H ' HG13 ' A' ' 43' ' ' ILE . 2.4 pp -78.77 15.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.047 0.758 . . . . 71.42 113.047 -172.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.573 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -66.18 -11.63 55.95 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.868 -0.682 . . . . 52.41 113.15 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 m -96.5 15.02 22.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.31 . . . . 65.1 111.136 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.548 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 18.9 m -107.99 140.74 40.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 74.31 111.35 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.557 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 9.0 t0 -74.09 148.41 41.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 74.23 109.644 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 9' ' ' PHE . 11.7 tt -71.6 -28.09 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.014 0.435 . . . . 75.43 111.127 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.557 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 23.9 ptt180 -76.23 -21.52 56.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.457 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -132.15 77.38 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.525 0.678 . . . . 43.42 109.986 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tp -88.99 162.69 15.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.083 -0.962 . . . . 73.34 109.191 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HE2' ' OG ' ' A' ' 46' ' ' SER . 3.6 mptp? -79.84 174.8 11.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 74.25 110.613 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.773 HG22 ' H ' ' A' ' 54' ' ' SER . 1.8 m -82.93 -162.6 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 73.2 108.733 173.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.773 ' H ' HG22 ' A' ' 53' ' ' THR . 3.0 m -49.56 -18.01 0.38 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.155 0.798 . . . . 75.54 113.155 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -55.77 -29.55 59.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.548 0.339 . . . . 73.33 111.256 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -65.07 -15.3 62.21 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.262 -0.426 . . . . 74.35 111.782 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.79 -14.81 59.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.333 . . . . 71.25 111.243 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -53.15 -52.61 64.15 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.887 0.699 . . . . 71.44 112.887 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 22.6 Cg_endo -63.11 -27.58 73.42 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 61.45 112.931 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.593 ' HA ' HG22 ' A' ' 63' ' ' VAL . 2.6 mp -69.08 -25.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.271 -0.64 . . . . 75.24 109.271 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 45.9 mmtt -70.54 -32.14 69.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.33 0.586 . . . . 74.43 110.484 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 59' ' ' PRO . 37.5 mt-10 -67.74 -41.27 83.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.828 -0.624 . . . . 72.14 110.155 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 60' ' ' ILE . 33.5 m -77.82 -29.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 63.04 111.787 -178.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -42.19 64.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.615 -0.513 . . . . 71.31 109.615 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -66.84 -16.37 64.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.407 0.622 . . . . 54.51 110.22 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -81.71 4.5 21.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 72.0 110.995 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.45 2.54 27.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.316 -0.945 . . . . 74.14 113.003 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -104.98 65.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.243 0.544 . . . . 72.43 110.645 178.506 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -70.92 -49.71 42.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 74.34 111.031 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 3.8 m-20 -66.53 -40.94 89.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.029 0.442 . . . . 73.35 110.033 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.744 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 59.4 t -56.73 -43.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.29 -0.868 . . . . 74.4 111.554 -176.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -53.44 -57.17 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.313 . . . . 72.13 111.626 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -60.35 -48.05 83.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 73.11 111.179 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 42.7 mtp180 -60.23 -34.95 74.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 75.0 111.288 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 38' ' ' TYR . 6.3 mp -73.23 -48.74 32.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.814 -0.176 . . . . 73.42 111.344 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.526 ' HA ' HG12 ' A' ' 79' ' ' VAL . 17.0 pt20 -64.39 -35.35 80.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 75.23 111.202 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.13 -33.11 70.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.683 -0.69 . . . . 62.15 110.792 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.76 -40.1 19.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 75.22 112.09 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 76' ' ' GLN . 12.3 p -64.13 -34.11 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.893 0.331 . . . . 72.53 111.893 -174.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.8 t -71.0 -30.61 66.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.976 0.417 . . . . 61.33 110.401 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.77 71.86 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.256 -0.429 . . . . 21.5 110.418 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 9' ' ' PHE . 27.6 mm -59.73 -53.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.521 0.677 . . . . 60.42 110.119 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.635 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 49.8 ttm -63.18 -39.75 95.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.852 -1.067 . . . . 73.44 110.791 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -64.36 -36.71 85.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 62.33 111.148 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.059 0.457 . . . . 74.41 109.872 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.35 83.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 74.24 111.272 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 44.9 t -74.94 -33.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 62.21 110.633 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -60.89 -41.3 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.049 -0.723 . . . . 72.3 109.049 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -15.27 60.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.492 -0.776 . . . . 62.02 111.036 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 t70 64.25 29.83 13.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.058 0.932 . . . . 71.32 109.419 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -81.34 -32.68 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.988 -1.005 . . . . 74.43 110.712 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.71 -171.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 72.53 110.119 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -98.26 -43.14 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.291 0.478 . . . . 63.12 112.291 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -151.81 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.771 0.319 . . . . 70.2 111.021 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 1.035 ' HB3' ' HB2' ' A' ' 98' ' ' SER . 14.4 m120 -116.09 85.84 15.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 73.33 111.024 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.635 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 23.6 Cg_exo -64.85 -39.96 23.48 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.516 2.144 . . . . 44.4 112.302 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.433 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . -116.39 43.9 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.093 0.473 . . . . 72.21 111.034 -177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . 1.035 ' HB2' ' HB3' ' A' ' 95' ' ' ASN . 8.2 t -76.49 -46.95 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.352 -0.611 . . . . 23.11 109.352 177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -111.49 88.0 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 34.24 109.821 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.433 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.1 ppp? -135.36 -15.44 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 74.13 111.024 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 54.33 111.438 -176.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.231 0.539 . . . . 74.41 110.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.57 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 18.9 m -119.87 150.23 40.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.628 -0.715 . . . . 74.52 110.427 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.673 ' HA ' HD12 ' A' ' 48' ' ' ILE . 37.5 t80 -50.75 -50.68 55.15 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.666 0.604 . . . . 74.13 111.515 -178.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -73.75 -31.87 63.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 63.32 111.631 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.57 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 16.1 m -65.17 -39.68 93.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.298 -0.41 . . . . 75.32 111.133 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.496 HD12 HD13 ' A' ' 48' ' ' ILE . 50.3 mt -72.37 -28.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.944 0.402 . . . . 71.41 110.433 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.25 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 74.1 111.844 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 15.1 ptm180 -76.85 -32.89 57.84 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.763 -0.375 . . . . 73.34 110.877 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -54.91 -53.35 56.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.728 -0.669 . . . . 73.31 111.92 -172.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -79.41 -26.19 41.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.47 -0.492 . . . . 74.24 111.346 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -75.08 -24.67 58.2 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.324 0.49 . . . . 71.33 112.324 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 37.0 mt-10 -63.83 4.45 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.716 1.006 . . . . 72.24 113.716 -174.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -74.0 -7.34 52.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.448 0.642 . . . . 72.31 109.474 168.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 70.53 91.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.586 -1.188 . . . . 75.3 112.044 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 58.9 mmtt -113.44 92.62 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.166 -0.924 . . . . 73.24 109.569 168.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.66 -73.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.459 -1.246 . . . . 54.31 112.134 -178.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -64.14 127.1 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 73.52 111.57 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.8 m -86.7 164.7 16.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.635 . . . . 43.35 110.578 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -68.13 -33.38 74.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.669 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -56.01 -50.6 70.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 73.05 110.781 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 30' ' ' ARG . 78.8 m-70 -73.89 -27.74 61.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.698 -0.683 . . . . 73.22 110.705 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.479 ' NH1' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.06 -41.86 68.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.002 0.429 . . . . 75.51 110.11 175.1 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -75.81 -41.67 52.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 72.03 110.689 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 24.8 mtt180 -57.03 -51.67 68.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.505 . . . . 51.13 111.402 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.22 -14.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 74.41 112.165 -173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD13 ' NH1' ' A' ' 28' ' ' ARG . 52.6 tp -50.54 -37.45 39.44 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.823 0.675 . . . . 74.43 112.823 -172.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -61.5 -50.57 72.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.243 0.544 . . . . 73.03 110.176 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -70.98 -28.79 64.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 70.23 110.427 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.33 -51.74 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 72.43 110.582 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.3 pt-20 -72.75 -30.68 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.378 -0.529 . . . . 63.52 110.803 -177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.08 -23.77 63.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 74.42 111.013 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -100.56 -44.86 5.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 71.41 111.085 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.611 HD11 HD12 ' A' ' 75' ' ' LEU . 69.2 mt -96.69 -29.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.129 0.418 . . . . 74.51 112.129 -173.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 93.8 m-85 -120.27 68.53 13.93 Favored Pre-proline 0 CA--C 1.534 0.33 0 O-C-N 122.024 -0.423 . . . . 73.54 111.841 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 3.2 Cg_exo -74.94 -57.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.628 1.552 . . . . 75.33 111.663 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -105.49 -28.19 10.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.524 . . . . 45.31 110.953 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.2 pt -87.04 8.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 112.523 0.564 . . . . 74.12 112.523 -168.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -81.49 -5.21 90.12 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.691 -0.766 . . . . 70.01 111.989 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 p -85.59 -11.74 53.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.405 . . . . 65.51 110.666 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -69.19 140.93 54.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.842 -0.617 . . . . 71.3 110.826 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -96.5 150.14 20.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 9' ' ' PHE . 16.3 tt -67.48 -19.56 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.006 0.432 . . . . 64.53 111.234 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.64 -31.84 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.974 0.416 . . . . 75.44 110.416 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.25 89.44 2.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.413 -0.588 . . . . 74.41 109.413 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.74 161.54 13.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.918 -0.583 . . . . 63.02 109.629 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -105.93 172.47 6.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.106 0.479 . . . . 72.42 111.577 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.609 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -87.01 -160.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 74.13 111.653 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.438 ' H ' ' HB ' ' A' ' 53' ' ' THR . 4.6 m -59.11 5.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.213 1.19 . . . . 75.32 114.213 -172.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -69.33 -29.58 67.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.415 0.626 . . . . 74.14 109.601 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 53' ' ' THR . 3.2 pp -77.14 -12.5 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.446 -0.797 . . . . 71.23 111.248 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 100' ' ' MET . 61.0 tp -70.47 -26.48 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.44 111.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.65 -50.94 84.11 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.041 0.386 . . . . 74.41 112.041 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.4 Cg_exo -50.15 -47.66 23.05 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.675 2.25 . . . . 74.33 113.574 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 76' ' ' GLN . 47.5 mm -63.68 -33.49 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.624 0.726 . . . . 74.21 110.101 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 57.9 mmtt -69.98 -23.41 63.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.26 -0.882 . . . . 75.21 111.906 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' OE2' ' HA ' ' A' ' 59' ' ' PRO . 55.0 mt-10 -54.24 -38.91 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.177 0.513 . . . . 71.44 110.044 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.74 -48.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 73.04 110.247 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.26 -37.31 62.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.075 -0.966 . . . . 74.1 111.337 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.3 m -63.98 -38.42 91.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.986 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 -41.7 72.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.604 0.716 . . . . 74.0 109.397 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 -146.31 14.29 Favored Glycine 0 N--CA 1.43 -1.728 0 N-CA-C 108.852 -1.699 . . . . 60.31 108.852 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 54.03 30.8 12.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.211 0.529 . . . . 73.02 111.018 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -61.42 -33.71 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.305 -0.861 . . . . 75.0 111.59 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.98 -53.16 22.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.768 0.318 . . . . 72.12 110.835 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.36 -34.48 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.099 -0.5 . . . . 64.43 110.771 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.44 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.665 0.269 . . . . 62.14 110.705 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.48 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -62.0 -43.64 98.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.163 0.506 . . . . 61.44 111.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 20.1 tpt180 -64.57 -38.49 91.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.112 -0.495 . . . . 64.34 111.1 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.611 HD12 HD11 ' A' ' 39' ' ' ILE . 3.3 mm? -73.7 -43.95 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.206 0.447 . . . . 74.24 112.206 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 16.7 pt20 -56.67 -34.48 67.42 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 74.4 110.966 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -52.78 -23.77 7.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.984 -1.007 . . . . 73.13 112.45 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.47 ' O ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -60.2 -34.07 73.12 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.114 0.483 . . . . 54.1 110.405 179.374 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.86 -40.19 78.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 74.11 109.773 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -66.85 -34.51 77.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.573 -0.739 . . . . 65.35 110.674 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 74.35 110.602 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 78' ' ' ARG . 46.8 mm -61.67 -41.96 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 61.35 110.294 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.62 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 4.7 mmt -57.94 -33.02 68.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 73.44 111.483 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -60.95 -58.88 6.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.995 -0.372 . . . . 72.35 109.995 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.74 -34.76 78.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 73.53 110.505 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 64.43 111.553 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.529 HG21 ' HA ' ' A' ' 95' ' ' ASN . 61.2 t -72.05 -32.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.359 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -66.14 -24.42 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.769 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.437 ' HB3' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -76.34 -3.7 38.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.635 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 66.01 25.99 10.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.385 0.883 . . . . 74.22 113.385 170.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.476 ' CD1' HG23 ' A' ' 92' ' ' ILE . 31.8 p90 -103.93 -10.14 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.655 -0.818 . . . . 74.24 111.345 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 91' ' ' TYR . 17.8 pt -140.51 142.47 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 45.44 110.552 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.35 87.24 2.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.081 0.467 . . . . 72.21 110.676 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.0 m -161.4 -52.0 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.465 -0.789 . . . . 74.03 109.966 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.529 ' HA ' HG21 ' A' ' 87' ' ' VAL . 15.6 t-20 60.6 79.28 0.29 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.398 -0.819 . . . . 74.14 110.86 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.62 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 5.6 Cg_exo -78.91 -167.41 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.066 2.51 . . . . 52.05 111.394 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.13 6.82 3.72 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.711 -0.677 . . . . 74.42 111.959 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 p -66.26 -41.41 89.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.069 0.462 . . . . 73.53 111.024 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -90.57 -7.57 52.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 74.12 110.094 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.483 ' HG2' ' HB2' ' A' ' 57' ' ' LEU . 1.7 tmt? -73.38 -51.43 17.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 61.43 110.02 -177.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.971 -0.559 . . . . 52.31 109.558 174.585 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 121.58 0.705 . . . . 74.43 110.189 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 10' ' ' GLU . 10.2 m -103.99 143.08 33.35 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.675 -0.693 . . . . 72.31 110.285 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.845 ' HA ' HD12 ' A' ' 48' ' ' ILE . 54.1 t80 -58.8 -37.7 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 71.52 110.602 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 27.9 tt0 -66.22 -46.22 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 74.34 111.826 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -62.04 -39.6 92.9 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.417 0.525 . . . . 71.43 112.417 -173.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.663 HD12 HD13 ' A' ' 48' ' ' ILE . 59.6 mt -74.17 -36.0 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.869 0.366 . . . . 74.15 110.448 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.18 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.947 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.3 mtt180 -55.87 -46.49 78.26 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.091 -0.504 . . . . 75.25 111.218 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -58.25 8.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 62.52 112.082 -165.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -75.24 -33.92 61.36 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.312 -0.404 . . . . 74.01 111.427 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -72.45 -27.98 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.988 0.366 . . . . 53.4 111.988 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.1 mt-10 -68.1 1.0 3.06 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.021 0.378 . . . . 75.04 112.021 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -67.22 -24.15 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 71.52 109.234 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.68 90.1 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.089 -0.96 . . . . 64.24 108.786 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -156.17 145.43 20.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 75.45 111.191 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -163.15 81.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.035 -0.53 . . . . 75.2 110.117 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 44.82 57.18 4.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.411 -0.813 . . . . 75.22 112.591 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -115.22 17.76 16.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.402 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.1 tp10 -69.55 -40.18 76.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.773 -0.649 . . . . 74.13 111.87 -172.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.12 -50.09 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.849 0.315 . . . . 65.0 111.849 -172.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -74.8 -26.86 60.03 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.487 -0.485 . . . . 72.21 111.555 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HG12 ' A' ' 31' ' ' VAL . 3.7 ppt_? -72.61 -24.29 61.05 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.541 -0.464 . . . . 75.23 110.42 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.0 m -70.23 -28.07 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 35.34 110.625 175.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 30' ' ' ARG . 32.0 mtt180 -82.13 -48.86 10.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.371 0.605 . . . . 64.3 109.996 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 28' ' ' ARG . 8.9 p -67.95 -13.08 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.361 -0.836 . . . . 71.13 111.155 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 36.9 tp -50.65 -32.56 19.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.098 -0.501 . . . . 55.44 111.462 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -55.83 -43.68 77.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.166 0.508 . . . . 64.42 110.802 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -68.59 -40.44 80.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.555 -0.748 . . . . 74.43 110.14 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.91 -51.45 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 73.35 110.255 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 49.2 mt-10 -59.32 -41.97 90.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 51.31 111.444 -178.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 tp -70.83 -36.66 73.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.479 . . . . 70.23 112.281 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -96.39 -26.88 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 49.0 mm -92.25 -31.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.737 -0.385 . . . . 71.31 111.081 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -128.9 61.99 59.31 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 63.53 111.18 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.9 Cg_endo -80.22 -58.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.948 1.765 . . . . 73.21 112.506 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -107.83 -2.85 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 75.33 110.585 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG23 ' HG2' ' A' ' 59' ' ' PRO . 27.0 pt -123.6 13.45 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.982 0.734 . . . . 54.42 112.982 -166.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.4 -9.24 72.83 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.672 -0.775 . . . . 52.24 113.404 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 p -90.67 8.64 33.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.766 -0.255 . . . . 60.25 111.683 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -93.47 151.47 19.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.722 0.296 . . . . 54.33 111.542 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.651 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 17.5 t70 -87.96 160.73 17.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 74.04 109.999 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 9' ' ' PHE . 15.3 tt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 112.466 0.543 . . . . 74.45 112.466 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.651 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 35.5 ptt-85 -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.149 -0.62 . . . . 73.1 111.016 -175.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -146.23 80.05 1.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.525 0.679 . . . . 74.42 109.216 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.38 150.91 33.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.24 -0.891 . . . . 74.4 109.681 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -97.56 175.3 6.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.898 0.38 . . . . 73.52 111.541 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -163.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 62.11 112.287 -176.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 6.9 m -65.56 4.7 0.52 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.599 -0.728 . . . . 72.3 112.517 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -63.6 -28.02 69.64 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 108.244 -1.021 . . . . 74.31 108.244 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.09 -17.34 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.255 -1.339 . . . . 75.44 110.979 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HG ' ' HD3' ' A' ' 61' ' ' LYS . 50.7 tp -80.38 -22.67 41.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 72.11 112.065 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.611 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -49.91 -51.64 59.22 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.008 0.744 . . . . 71.13 113.008 -175.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 47.4 Cg_exo -59.4 -38.47 83.86 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.101 1.867 . . . . 71.11 113.086 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 60' ' ' ILE . 3.0 mp -66.09 -28.0 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 70.33 110.158 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.619 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 2.3 mmmp? -69.37 -29.52 67.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.899 0.857 . . . . 43.33 109.698 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.13 -29.51 65.34 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.395 -1.275 . . . . 74.03 109.88 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.99 -47.07 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 61.33 111.111 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.771 ' HB2' ' HA ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -63.71 -35.16 79.64 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.498 -0.319 . . . . 70.32 110.862 -176.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.9 m -63.5 -21.62 66.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.031 0.443 . . . . 73.43 111.221 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 m -76.21 -9.55 58.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.424 -0.353 . . . . 73.45 111.054 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.14 -45.36 1.08 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.454 -0.879 . . . . 44.45 113.023 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.676 ' HB3' HG12 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -81.86 78.97 8.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.644 0.735 . . . . 61.51 111.457 -176.406 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.771 ' HA ' ' HB2' ' A' ' 64' ' ' ASP . 33.5 t-80 -73.48 -48.98 29.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.701 -1.136 . . . . 74.01 111.377 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.11 -45.25 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 64.3 112.584 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.676 HG12 ' HB3' ' A' ' 68' ' ' LYS . 9.8 p -60.36 -33.91 55.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.694 0.283 . . . . 74.35 110.672 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.61 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.974 0.416 . . . . 44.42 110.352 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 1.9 mm100 -65.51 -44.72 86.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 51.42 111.056 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.66 -39.35 91.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 70.32 110.481 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 HG22 ' A' ' 71' ' ' VAL . 7.2 mp -74.1 -46.31 43.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 74.3 112.199 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.57 ' O ' HG22 ' A' ' 79' ' ' VAL . 13.6 pt20 -61.25 -36.16 79.22 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.022 0.379 . . . . 74.41 112.022 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -20.3 2.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.662 -0.699 . . . . 75.34 112.459 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.8 ptp180 -58.04 -33.01 68.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.788 0.292 . . . . 72.22 111.788 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 76' ' ' GLN . 35.3 m -59.89 -35.74 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 53.44 111.48 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -69.28 -37.41 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.46 . . . . 63.2 110.198 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.32 79.83 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.894 -0.594 . . . . 72.2 110.411 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 78' ' ' ARG . 42.8 mm -58.54 -50.48 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.99 -0.55 . . . . 55.54 110.095 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.509 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 24.0 mmt -60.08 -39.09 84.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 75.13 111.134 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -61.17 -46.53 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 75.22 110.956 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -73.17 -41.03 64.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.907 0.384 . . . . 70.12 110.802 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.584 ' HB1' HG23 ' A' ' 92' ' ' ILE . . . -62.71 -38.22 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 53.23 111.718 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.547 ' HB ' HD11 ' A' ' 92' ' ' ILE . 5.5 p -72.14 -31.78 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.21 0.528 . . . . 75.41 110.0 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.11 69.72 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.254 -0.884 . . . . 60.53 110.216 -176.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -98.38 12.9 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.438 -0.801 . . . . 64.23 110.757 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 62.22 30.22 17.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.431 0.53 . . . . 74.43 112.431 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -86.57 -49.02 7.85 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.766 -0.374 . . . . 74.51 111.816 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 49' ' ' ARG . 39.1 pt -88.29 163.85 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 64.44 112.206 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.79 -59.01 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 63.52 111.007 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' HD12 ' A' ' 92' ' ' ILE . 1.7 p -131.84 173.67 10.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 51.13 110.77 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.51 88.16 7.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 75.31 111.558 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.509 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 94.9 Cg_endo -87.27 -171.34 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.775 2.317 . . . . 71.23 111.397 174.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.7 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 70.79 -2.44 2.28 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.475 0.546 . . . . 70.31 112.475 175.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 53.11 110.616 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.09 15.02 10.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.878 0.847 . . . . 72.2 109.027 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.7 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 23.8 ttt -71.11 -31.62 68.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.275 -0.875 . . . . 72.34 110.657 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.827 -0.624 . . . . 62.11 110.055 178.888 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.122 0.487 . . . . 64.43 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.701 ' HB ' ' OE1' ' A' ' 10' ' ' GLU . 1.2 m -115.55 -177.03 3.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.764 -0.653 . . . . 70.24 110.064 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.668 ' H ' HG22 ' A' ' 8' ' ' THR . 72.0 t80 -55.49 -42.54 74.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.676 0.39 . . . . 75.21 111.613 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.701 ' OE1' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -72.26 -31.75 66.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 71.02 111.99 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 64.54 110.902 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.48 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 71.14 110.392 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.55 86.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.564 -0.744 . . . . 44.34 111.288 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.341 . . . . 64.41 111.74 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.32 -56.57 15.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.075 -0.512 . . . . 51.54 111.395 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' HE1' ' HA ' ' A' ' 82' ' ' ILE . 66.2 p-90 -79.55 -32.05 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.729 -0.389 . . . . 75.24 110.854 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -61.52 -35.47 77.8 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.662 0.616 . . . . 71.13 112.662 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.28 -17.2 62.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.05 0.389 . . . . 70.43 112.05 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.5 m -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.281 0.562 . . . . 74.31 110.122 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -113.68 76.41 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.263 -1.014 . . . . 71.04 108.263 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 2.0 tmtp? -98.84 140.19 33.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.54 -0.754 . . . . 72.14 110.844 -170.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.522 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 27.0 ttm180 -98.34 160.38 14.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.847 -0.427 . . . . 65.44 109.847 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -43.31 -73.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.058 1.133 . . . . 70.33 114.058 -167.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.2 p -99.71 115.3 29.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 71.42 112.033 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -69.45 -26.65 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 74.1 111.276 177.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.53 -36.16 83.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.439 . . . . 72.02 110.847 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -74.21 -28.28 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 72.24 110.14 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 24' ' ' SER . 16.3 mmp_? -66.79 -31.39 71.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.089 -0.505 . . . . 71.22 109.668 174.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -62.06 -33.97 75.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.052 -0.522 . . . . 53.22 110.829 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -69.36 -37.23 77.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.957 -0.757 . . . . 72.31 108.957 176.467 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 t -69.89 -21.87 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 73.42 110.321 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.91 -39.24 88.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.237 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -71.38 -40.56 70.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 74.21 110.734 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.58 -43.92 80.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.135 -0.484 . . . . 74.25 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 39' ' ' ILE . 51.8 tp -63.77 -50.62 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 64.51 110.468 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -51.73 -49.47 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 75.42 111.961 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.67 -17.73 64.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.47 0.545 . . . . 73.21 112.47 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -111.07 -23.86 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.075 0.768 . . . . 75.21 113.075 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.524 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 11.2 tp -92.92 -19.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.628 -0.429 . . . . 75.3 110.089 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.826 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 40.8 m-85 -124.11 53.98 7.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 111.899 0.333 . . . . 74.33 111.899 176.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 56.3 Cg_endo -98.85 -59.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.834 1.689 . . . . 63.55 112.983 176.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -106.19 -41.36 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.23 0.538 . . . . 73.42 110.312 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.472 HG21 ' HB2' ' A' ' 56' ' ' LEU . 36.9 pt -91.86 -10.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.518 -0.765 . . . . 73.52 111.444 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.826 ' HA3' ' HA ' ' A' ' 40' ' ' PHE . . . -87.0 21.52 19.53 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.705 -0.76 . . . . 71.12 113.071 -174.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 p -89.05 0.12 56.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.268 0.556 . . . . 75.11 110.507 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 m -114.12 172.91 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 71.53 110.612 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.1 158.62 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.402 -0.592 . . . . 63.12 109.402 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.89 -25.38 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 120.947 0.403 . . . . 74.01 110.837 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 41.6 ttp-105 -72.69 -20.84 61.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.323 -0.398 . . . . 63.32 110.908 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -133.78 72.08 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.279 0.561 . . . . 71.22 110.015 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -97.42 149.96 21.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.659 -0.7 . . . . 70.33 110.346 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 3.5 mptp? -94.63 170.57 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.584 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.893 ' HA ' ' HB2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -79.38 -163.11 0.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 62.11 111.034 -178.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.63 ' H ' HG22 ' A' ' 53' ' ' THR . 16.3 m -62.01 3.49 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.815 0.672 . . . . 65.42 112.815 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -59.34 -31.65 69.38 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.466 -0.568 . . . . 72.13 109.466 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 pp -75.25 -14.91 60.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.433 -0.803 . . . . 73.04 111.31 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.78 -24.48 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 74.43 110.933 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -64.11 -52.95 51.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.546 -0.297 . . . . 73.32 111.271 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.0 Cg_exo -53.81 -35.29 78.64 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.268 1.979 . . . . 74.31 112.969 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.467 HG22 ' HB1' ' A' ' 72' ' ' ALA . 50.8 mm -69.27 -32.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 73.04 109.64 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 18.0 tptp -70.79 -25.27 62.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.481 -0.781 . . . . 72.5 109.543 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 59' ' ' PRO . 34.4 tt0 -62.13 -37.61 85.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.125 -0.943 . . . . 72.54 109.743 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.95 -36.83 65.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.161 0.505 . . . . 75.25 109.773 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.55 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 2.3 t70 -53.84 -51.09 64.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 74.23 109.68 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -60.56 -29.72 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.298 -0.865 . . . . 70.21 111.571 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -69.89 -16.87 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.378 . . . . 72.4 110.984 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.5 -15.98 10.58 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.983 -0.627 . . . . 74.42 112.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.926 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.1 mmpt? -94.81 46.52 1.13 Allowed 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.679 0.752 . . . . 54.35 111.571 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.549 -1.205 . . . . 72.05 110.919 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -74.33 -44.05 54.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 75.43 109.976 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 60.9 t -72.34 -37.86 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 63.53 110.571 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB1' HG22 ' A' ' 60' ' ' ILE . . . -53.29 -51.42 62.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 65.53 111.388 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.607 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 tt0 -61.87 -45.9 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.412 0.625 . . . . 64.2 111.216 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 8.4 tpt180 -56.37 -32.49 64.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.987 -1.006 . . . . 75.2 111.107 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 97.1 mt -74.15 -49.81 22.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.354 -0.385 . . . . 52.15 111.387 176.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.607 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.6 pt20 -65.62 -41.0 93.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.74 0.305 . . . . 74.33 111.801 -175.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.34 -19.97 65.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 61.11 110.558 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 82' ' ' ILE . 20.9 ttm180 -80.81 -49.67 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.904 -0.589 . . . . 64.44 110.707 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.82 -32.45 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.403 . . . . 63.43 111.098 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 19.0 p -65.34 -32.41 74.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.799 0.333 . . . . 71.51 110.887 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.4 -38.07 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.526 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.552 ' HA ' ' HE1' ' A' ' 16' ' ' TRP . 83.3 mt -60.76 -51.54 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 74.24 110.58 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 ttt -70.97 -25.1 62.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 62.41 110.492 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' THR . 15.0 tpp85 -59.74 -46.08 90.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 74.4 110.364 178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -68.71 -30.07 68.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.355 0.598 . . . . 72.31 109.769 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.024 ' HB1' ' HE1' ' A' ' 91' ' ' TYR . . . -65.76 -22.92 66.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 74.02 111.335 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 46.8 t -72.54 -23.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.468 . . . . 64.41 110.294 176.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.5 tp60 -67.95 -36.57 80.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 61.23 111.265 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -86.17 -7.9 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 75.2 110.492 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 57.02 64.94 1.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.551 -0.75 . . . . 73.44 112.768 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 1.024 ' HE1' ' HB1' ' A' ' 86' ' ' ALA . 7.5 p90 -111.06 0.34 16.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.398 0.618 . . . . 73.32 109.661 169.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.6 pt -130.42 143.61 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.433 -0.803 . . . . 72.13 110.614 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.51 25.35 8.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.952 0.406 . . . . 72.54 110.833 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.4 m -132.46 -60.82 0.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 74.15 110.904 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.2 t30 55.2 78.48 0.38 Allowed Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 115.887 -0.597 . . . . 72.44 111.171 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.893 ' HB2' ' HA ' ' A' ' 53' ' ' THR . 72.5 Cg_endo -76.17 -17.26 17.2 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.706 2.271 . . . . 53.13 112.483 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 80' ' ' THR . . . -82.46 79.49 8.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.311 0.577 . . . . 53.53 110.806 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 m -140.21 -64.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.961 -0.563 . . . . 74.05 111.314 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 46.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.767 0.317 . . . . 73.14 111.233 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mtp -90.47 -41.13 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 72.33 110.966 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.263 -0.426 . . . . 20.42 110.511 176.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.9 p90 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.908 -0.404 . . . . 74.22 109.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 11' ' ' THR . 24.3 m -58.35 142.23 48.79 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.4 -0.818 . . . . 71.13 111.529 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.69 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 36.7 t80 -48.34 -37.52 16.84 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.7 -0.682 . . . . 73.32 112.234 -177.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.841 0.682 . . . . 54.43 112.841 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 8' ' ' THR . 13.4 t -70.63 -30.66 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.818 -0.353 . . . . 63.1 111.113 -173.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.76 -44.21 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.689 -0.486 . . . . 72.51 109.689 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.2 -35.75 81.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.837 -0.619 . . . . 65.04 111.022 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.66 -45.06 93.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 53.42 110.959 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.36 -54.36 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.547 -0.751 . . . . 74.34 112.372 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.615 ' HE1' HG12 ' A' ' 82' ' ' ILE . 69.5 p-90 -79.47 -38.15 35.22 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.646 -0.422 . . . . 75.52 111.637 -176.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -65.2 -24.9 67.49 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.975 0.361 . . . . 71.44 111.975 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -53.82 -14.71 1.03 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.852 0.686 . . . . 70.03 112.852 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -38.75 88.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 54.24 110.477 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -131.71 84.67 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.121 0.962 . . . . 65.52 110.47 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.59 159.16 20.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 61.34 110.471 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HD2' ' O ' ' A' ' 23' ' ' TRP . 7.7 tmm_? -115.41 138.94 50.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.894 -0.78 . . . . 73.51 108.894 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.487 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 5.6 m-90 -76.0 176.61 7.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 73.55 111.749 -172.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.6 m 65.56 46.4 2.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.638 -0.71 . . . . 72.31 110.04 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.93 -21.5 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.366 -0.834 . . . . 71.42 111.632 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.65 -30.65 14.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.507 0.67 . . . . 75.02 110.407 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -65.77 -21.61 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.995 -1.002 . . . . 73.34 112.089 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -44.48 -34.77 2.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.561 0.744 . . . . 63.32 111.607 -176.268 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -54.5 -46.46 73.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.951 0.405 . . . . 71.34 110.966 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 5.3 mpt_? -81.7 -34.75 30.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 74.51 110.565 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 28' ' ' ARG . 61.5 t -62.38 -33.45 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.059 -0.519 . . . . 52.42 110.615 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 64.7 tp -56.65 -41.15 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.654 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.81 -35.4 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 63.34 110.781 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.58 -34.54 67.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.093 0.473 . . . . 73.04 110.105 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.623 HD12 HD12 ' A' ' 39' ' ' ILE . 46.9 tp -60.53 -52.71 64.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.6 -0.727 . . . . 75.51 110.863 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.7 pt-20 -70.07 -28.88 65.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 64.3 112.134 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.7 mt -84.09 -34.04 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.098 0.407 . . . . 72.31 112.098 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -101.82 -45.92 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.103 0.408 . . . . 72.51 112.103 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.623 HD12 HD12 ' A' ' 35' ' ' LEU . 57.2 mt -94.57 -33.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 75.11 111.545 -173.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.475 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 89.1 m-85 -122.0 54.26 5.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 121.118 -0.233 . . . . 73.34 111.309 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.21 -56.27 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.953 1.769 . . . . 61.52 112.978 -170.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -105.0 -2.65 24.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 64.33 111.132 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 56' ' ' LEU . 37.3 pt -119.6 12.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.284 -0.416 . . . . 63.43 111.672 -173.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -67.14 -14.17 63.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.048 -0.596 . . . . 74.23 112.858 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p -89.38 -0.79 57.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.847 0.356 . . . . 74.12 111.098 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -108.57 105.59 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 74.02 111.044 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.93 164.94 20.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 42.42 110.232 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.69 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 16.5 tt -73.28 -10.7 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.403 -0.362 . . . . 64.2 111.685 -173.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -51.27 -44.34 61.78 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.412 -0.588 . . . . 74.2 109.412 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.12 82.66 1.96 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.67 -0.863 . . . . 72.51 108.67 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -85.86 128.1 34.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.501 -0.772 . . . . 73.05 108.996 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -90.0 169.52 11.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.074 -0.512 . . . . 73.21 111.683 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -73.81 -162.31 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.553 -0.749 . . . . 74.25 111.912 -178.445 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 13.8 m -64.22 16.73 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.697 0.999 . . . . 73.11 113.697 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' THR . 35.3 m-70 -73.07 -31.11 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.23 -0.656 . . . . 73.13 109.23 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.819 ' HB2' HG21 ' A' ' 43' ' ' ILE . 4.6 pp -77.11 -14.64 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.456 -0.793 . . . . 75.13 110.518 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 54' ' ' SER . 2.0 tt -66.91 -28.97 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 64.32 111.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.741 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.43 -56.52 21.71 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.318 0.488 . . . . 75.24 112.318 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.741 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -60.94 -27.18 84.39 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.066 1.844 . . . . 54.02 113.2 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 63' ' ' VAL . 43.6 mm -71.49 -24.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.449 0.643 . . . . 52.41 110.114 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 9.4 tmtt? -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.573 -0.74 . . . . 64.0 110.352 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -69.17 -46.74 66.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.437 -0.347 . . . . 64.21 110.969 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 60' ' ' ILE . 11.4 p -70.16 -28.27 35.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 65.34 110.051 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 3.3 t70 -58.16 -57.61 12.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.658 -0.701 . . . . 74.2 110.703 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -72.79 -19.25 61.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 62.55 111.015 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -66.94 -15.71 63.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.875 -0.602 . . . . 74.51 111.143 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.53 -16.6 5.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.565 -0.826 . . . . 50.22 113.004 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.8 mmpt? -97.81 30.69 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.241 0.543 . . . . 75.23 110.194 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.6 p80 -48.41 -48.04 37.34 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.637 -1.165 . . . . 71.33 112.749 -176.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -72.56 -35.46 67.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 73.44 110.853 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.466 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 40.9 t -68.51 -41.97 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.124 -0.489 . . . . 64.13 110.331 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.09 91.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.618 . . . . 73.34 110.958 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 3.3 mm100 -59.62 -45.03 93.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.232 -0.44 . . . . 63.03 111.093 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -58.23 -32.9 68.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.724 -0.671 . . . . 71.54 111.367 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 79' ' ' VAL . 95.3 mt -65.9 -43.5 88.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.63 -0.259 . . . . 75.13 110.448 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HG3' ' HA ' ' A' ' 73' ' ' GLN . 13.6 mt-30 -61.8 -46.56 89.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.576 0.703 . . . . 75.41 109.697 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -20.39 65.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.283 -1.326 . . . . 74.01 111.589 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 82' ' ' ILE . 98.6 mtt180 -83.09 -41.55 18.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.601 -0.272 . . . . 74.44 110.3 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 75' ' ' LEU . 94.7 t -60.79 -41.31 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 72.12 110.754 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 31.4 p -60.27 -40.01 88.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 74.43 110.628 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.32 92.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.668 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.615 HG12 ' HE1' ' A' ' 16' ' ' TRP . 76.5 mt -59.79 -40.99 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.964 -0.562 . . . . 63.41 110.294 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 mmm -66.28 -34.66 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 73.33 111.283 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 80' ' ' THR . 9.3 mmm180 -65.69 -34.16 77.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.381 . . . . 70.24 110.061 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 5.9 t80 -73.59 -30.52 63.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 63.54 109.716 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.7 85.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 72.31 110.246 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 83' ' ' MET . 94.6 t -69.02 -27.02 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 33.2 110.574 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 85' ' ' TYR . 32.2 tt0 -57.35 -42.22 81.6 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.336 175.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.7 -15.82 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 54.23 109.983 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t70 44.03 76.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.718 1.207 . . . . 54.42 113.345 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -111.21 7.83 21.36 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.479 0.657 . . . . 73.41 109.688 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 pt -120.09 -39.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.386 -0.825 . . . . 75.45 111.897 -175.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 61.25 24.1 14.25 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.015 0.912 . . . . 73.4 110.868 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.4 m -147.49 137.97 23.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.872 -0.604 . . . . 60.12 110.082 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -112.74 86.37 8.63 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 116.361 -0.381 . . . . 74.31 111.243 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.45 0.94 9.62 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.189 . . . . 50.52 111.796 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.807 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . -104.0 6.31 36.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.686 -0.688 . . . . 34.22 111.106 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -68.37 -47.56 67.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.116 -0.493 . . . . 53.53 110.194 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -124.31 30.35 6.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 72.13 109.438 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.807 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.6 tmt? -58.09 -53.89 53.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.308 -0.86 . . . . 54.2 109.855 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.694 -0.684 . . . . 72.24 109.316 174.666 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.174 0.511 . . . . 75.11 111.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -116.52 -168.86 1.52 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 53.42 109.753 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.504 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 53.5 t80 -69.58 -28.15 65.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.463 -0.569 . . . . 71.41 109.463 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.35 -45.3 73.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.725 -0.67 . . . . 64.21 110.416 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.72 -48.29 66.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 72.42 112.745 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.703 HD12 HD13 ' A' ' 48' ' ' ILE . 56.4 mt -69.71 -41.87 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 74.32 111.383 -175.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 60.41 110.414 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 50.3 ttt180 -69.13 -36.61 77.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.232 -0.894 . . . . 63.42 111.08 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -58.87 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.97 0.794 . . . . 73.01 111.693 -173.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -74.42 -24.88 59.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.464 -0.335 . . . . 73.02 111.2 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.93 -29.97 69.99 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.299 -0.251 . . . . 73.52 111.238 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 98.4 mt-10 -68.58 -18.22 64.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.761 0.315 . . . . 64.32 111.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 m -75.87 -15.38 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 62.22 110.375 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 8.0 t30 -95.44 -2.27 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.539 . . . . 72.11 109.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 71.7 mmtt 75.13 156.79 0.18 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.334 -0.848 . . . . 51.51 112.806 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 67.95 114.88 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 113.986 -1.461 . . . . 63.43 112.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 p90 -139.69 -55.19 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.297 -1.319 . . . . 74.32 109.589 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 39.7 t 58.76 115.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.245 0.966 . . . . 63.1 112.552 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.93 -29.63 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 73.43 110.769 175.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.16 -48.82 32.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.398 0.618 . . . . 75.51 110.291 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -70.5 -24.63 62.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.753 . . . . 74.15 109.918 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HG3' HD13 ' A' ' 32' ' ' LEU . 18.4 tpt180 -46.51 -43.94 17.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.745 0.818 . . . . 65.55 112.83 -175.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 m -55.59 -32.63 63.23 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.189 0.519 . . . . 54.04 111.357 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 7.1 mpt_? -81.24 -37.79 28.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 64.22 109.945 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -65.24 -38.5 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 74.42 110.697 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD13 ' HG3' ' A' ' 28' ' ' ARG . 6.4 mp -62.95 -37.94 89.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 72.4 111.45 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -30.37 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.433 0.635 . . . . 71.23 109.475 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -69.73 -47.61 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.253 -0.885 . . . . 71.31 111.226 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 40' ' ' PHE . 3.2 pp -68.65 -20.94 64.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.271 0.471 . . . . 72.41 112.271 -175.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 50.8 mt-10 -70.35 -32.11 69.67 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.716 0.293 . . . . 62.42 111.272 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -103.31 -33.91 8.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.099 0.407 . . . . 70.02 112.099 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -96.26 -33.18 12.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.843 0.312 . . . . 72.1 111.843 -172.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG12 ' HA ' ' A' ' 35' ' ' LEU . 34.4 mm -97.22 -61.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.64 -0.424 . . . . 74.33 111.215 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 4.0 p90 -131.35 84.36 56.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.158 0.504 . . . . 74.23 111.425 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 12.6 Cg_exo -70.61 -56.28 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.789 2.326 . . . . 73.44 113.05 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -103.51 -9.79 19.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.87 -0.332 . . . . 72.22 111.564 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' HB2' ' A' ' 40' ' ' PHE . 28.8 pt -104.33 3.72 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.975 0.416 . . . . 71.42 110.857 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA3' ' HD1' ' A' ' 40' ' ' PHE . . . -87.35 4.31 86.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.935 -0.65 . . . . 54.02 111.758 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -96.33 12.77 29.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 74.21 110.533 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -126.26 148.69 49.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 71.42 110.073 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -82.22 153.1 26.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.126 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.703 HD13 HD12 ' A' ' 12' ' ' ILE . 18.9 tt -71.24 -13.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.548 . . . . 71.34 111.007 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.72 -24.39 67.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 74.41 110.278 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -127.35 78.55 1.82 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.605 0.717 . . . . 74.32 109.361 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -88.59 161.35 16.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.048 -0.978 . . . . 65.3 109.348 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' H ' HD13 ' A' ' 51' ' ' LEU . 74.3 mmtt -122.58 161.81 23.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.008 0.433 . . . . 74.25 111.081 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.444 ' HB ' ' H ' ' A' ' 54' ' ' SER . 2.3 p -75.71 -162.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.411 -0.813 . . . . 75.14 111.186 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.444 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.9 m -52.03 -12.27 0.21 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.678 0.992 . . . . 71.12 113.678 -174.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -58.24 -36.93 73.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.768 0.318 . . . . 71.22 110.315 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -74.3 -15.53 60.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.934 0.397 . . . . 74.2 111.131 -177.263 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.37 -20.16 55.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 51.33 110.935 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.73 -53.73 61.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 111.886 0.328 . . . . 64.41 111.886 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 54.9 Cg_exo -55.51 -44.85 44.36 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.159 1.906 . . . . 60.13 112.892 176.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.9 mm -67.96 -30.35 47.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.273 0.559 . . . . 74.41 110.56 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 61' ' ' LYS . 15.8 tptp -69.65 -25.77 64.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.753 . . . . 55.01 110.05 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.52 -49.65 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 70.14 110.056 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.35 -40.78 89.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.134 0.492 . . . . 74.43 109.968 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 68' ' ' LYS . 1.1 t70 -55.65 -58.32 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.086 -0.961 . . . . 71.52 111.48 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 m -78.41 -19.84 52.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.07 -0.514 . . . . 54.23 111.755 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -71.19 -32.2 68.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 61.2 110.392 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.09 -48.63 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.166 -1.016 . . . . 53.13 113.315 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.643 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -90.66 80.82 5.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.666 0.746 . . . . 73.42 111.61 -175.28 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -73.06 -53.48 10.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.452 -1.249 . . . . 71.04 111.469 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -61.35 -48.1 82.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.147 -0.933 . . . . 71.13 111.909 -168.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 68' ' ' LYS . 26.8 m -63.62 -36.7 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 73.35 111.42 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . . . -67.15 -43.94 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 42.41 110.677 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -62.49 -45.04 94.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.557 . . . . 64.5 110.797 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -62.55 -32.31 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.78 -0.646 . . . . 73.11 111.592 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 71' ' ' VAL . 5.4 mp -73.3 -49.37 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 64.51 111.396 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.509 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.8 pt20 -61.25 -43.31 99.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 71.52 111.276 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.14 -29.62 68.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.898 0.38 . . . . 75.21 111.042 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -69.28 -22.36 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.05 111.011 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.17 -35.06 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 62.4 110.943 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.3 p -60.98 -41.55 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 51.05 110.745 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -40.66 83.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.266 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.32 -45.63 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 54.53 110.514 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.532 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 10.7 mmt -58.81 -38.55 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 63.41 110.676 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -61.0 -45.67 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.35 110.937 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.17 -30.86 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.342 . . . . 73.14 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.02 72.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.855 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 83' ' ' MET . 99.8 t -79.04 -37.68 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 72.31 110.334 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 71.34 109.614 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.18 -7.22 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 63.1 110.373 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.04 65.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.005 -0.998 . . . . 51.25 111.978 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -109.56 -10.2 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 75.22 110.518 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.0 pt -122.45 169.53 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 42.33 109.975 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -103.67 -48.75 3.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.037 0.446 . . . . 74.12 111.174 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.536 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 10.0 m -98.53 166.06 11.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 73.42 111.212 -173.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -110.25 86.14 4.98 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.553 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 94' ' ' SER . 18.0 Cg_endo -94.38 -169.42 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.315 2.677 . . . . 73.52 112.455 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 83' ' ' MET . . . 58.49 82.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.433 -0.803 . . . . 62.24 112.211 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -138.4 -47.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.459 . . . . 61.21 109.952 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.43 32.5 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.813 0.816 . . . . 72.34 110.388 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -120.56 9.59 10.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 74.13 109.671 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 CA-C-N 115.059 -0.973 . . . . 44.54 109.585 178.58 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 p90 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.461 -0.57 . . . . 75.04 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.764 ' H ' ' HB ' ' A' ' 11' ' ' THR . 77.8 p -129.41 -164.57 1.42 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.342 -0.845 . . . . 54.11 109.385 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.746 ' HA ' HD12 ' A' ' 48' ' ' ILE . 47.5 t80 -63.67 -49.51 72.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 73.14 110.747 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -75.88 -35.76 59.74 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 116.414 -0.357 . . . . 62.4 110.367 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.764 ' HB ' ' H ' ' A' ' 8' ' ' THR . 56.1 m -62.14 -35.42 78.7 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.836 0.68 . . . . 64.44 112.836 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.717 HD12 HD13 ' A' ' 48' ' ' ILE . 58.2 mt -72.37 -37.24 57.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 121.924 -0.485 . . . . 72.44 110.446 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.58 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.081 0.467 . . . . 64.51 110.0 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.796 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 4.7 tpp180 -52.31 -31.49 33.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.302 1.041 . . . . 55.41 112.152 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.71 -57.19 11.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.368 -0.833 . . . . 75.53 109.966 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.652 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 53.8 p-90 -81.48 -30.14 33.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.078 0.466 . . . . 73.54 111.091 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.796 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 17.1 t-160 -62.54 -27.9 69.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.905 0.705 . . . . 74.44 112.905 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.642 ' OE1' ' HD2' ' A' ' 14' ' ' ARG . 12.2 tp10 -65.49 -3.51 4.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.955 0.407 . . . . 51.14 111.681 -176.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -66.29 -28.54 68.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.482 -0.326 . . . . 44.22 111.532 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 69.59 156.92 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.913 0.485 . . . . 70.31 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -89.26 -40.94 12.48 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.158 0.429 . . . . 73.31 112.158 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -159.95 165.67 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.573 -0.529 . . . . 73.03 109.573 -174.631 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.46 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 11.4 m-90 -62.18 90.73 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.471 0.653 . . . . 70.11 111.507 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.6 m -163.27 38.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.953 -1.128 . . . . 65.3 107.953 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -49.9 -53.2 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.881 -1.054 . . . . 62.23 111.891 -169.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.17 -46.39 75.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.847 -0.615 . . . . 71.12 111.447 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -75.73 -42.66 49.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.843 -0.617 . . . . 72.24 111.589 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.19 -24.61 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.545 0.202 . . . . 53.24 111.545 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -70.58 -41.97 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 72.21 110.563 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -82.27 -33.99 28.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.589 -0.278 . . . . 51.01 110.874 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 69.6 t -65.51 -38.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.615 -0.266 . . . . 65.04 111.01 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.73 -24.19 8.23 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.615 0.572 . . . . 74.32 111.927 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 33' ' ' ARG . 35.9 ttt180 -50.75 -31.05 15.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 64.15 111.7 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 31' ' ' VAL . 3.2 p90 -54.75 -25.86 30.52 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.898 -0.592 . . . . 75.52 111.614 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD12 HG13 ' A' ' 39' ' ' ILE . 41.7 tp -56.25 -42.82 77.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.779 0.323 . . . . 71.31 111.319 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.78 -32.66 74.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 74.42 111.68 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -103.47 -41.07 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.359 0.504 . . . . 60.21 112.359 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -76.97 -37.0 56.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.37 -0.377 . . . . 73.43 111.097 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.514 HD11 ' HG ' ' A' ' 75' ' ' LEU . 48.0 mm -99.2 -29.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 74.02 111.269 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.417 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 64.0 m-85 -120.36 61.22 8.11 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.841 -0.344 . . . . 75.12 111.434 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.4 -56.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.342 1.361 . . . . 72.05 112.396 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -105.97 -21.04 13.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.273 0.558 . . . . 63.35 110.41 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.3 pt -94.09 16.22 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.619 -0.719 . . . . 74.33 112.161 -171.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -62.5 -9.21 23.56 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.248 -0.501 . . . . 75.32 113.403 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -87.19 7.49 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.786 0.327 . . . . 64.13 111.01 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -73.84 143.26 45.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.499 . . . . 62.53 111.778 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -99.65 134.66 42.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.211 -0.904 . . . . 73.51 109.189 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 9' ' ' PHE . 12.8 tt -75.72 -21.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.703 0.764 . . . . 75.42 109.806 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.718 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 7.0 ttp85 -78.33 -20.55 51.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.398 -0.819 . . . . 70.34 109.639 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -138.05 80.12 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.96 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 52' ' ' LYS . 1.4 tm? -82.31 138.34 34.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.449 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HD3' ' NE2' ' A' ' 55' ' ' HIS . 89.7 mttt -104.08 171.83 7.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.34 0.591 . . . . 74.03 112.572 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -73.0 -172.69 1.09 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.597 -0.729 . . . . 63.42 111.348 -177.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.693 ' H ' HG22 ' A' ' 53' ' ' THR . 4.5 p -71.99 16.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.89 1.07 . . . . 74.05 113.89 -169.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 52' ' ' LYS . 34.4 p80 -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.041 -0.664 . . . . 71.01 109.591 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' ' 43' ' ' ILE . 4.6 pp -76.9 -15.18 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.584 -0.735 . . . . 62.14 110.837 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.49 -13.49 59.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 75.35 111.226 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 59' ' ' PRO . . . -48.54 -54.41 26.72 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.047 0.758 . . . . 52.05 113.047 -177.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -61.27 -29.01 85.5 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.905 1.737 . . . . 64.14 113.426 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 59' ' ' PRO . 3.4 mp -72.29 -25.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.317 0.579 . . . . 74.41 109.454 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.743 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 1.3 mmmp? -69.98 -25.64 63.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.625 0.726 . . . . 73.23 110.297 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.41 -49.03 79.37 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.55 -1.205 . . . . 63.41 110.56 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 68' ' ' LYS . 10.1 p -77.93 -28.51 15.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.215 0.531 . . . . 71.22 110.236 177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.743 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -55.97 -52.28 64.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 43.51 110.859 175.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.6 m -73.34 -14.57 61.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 64.01 111.305 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.9 m -71.04 -18.44 62.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.436 -0.347 . . . . 61.42 110.979 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.28 -1.88 14.31 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.577 -0.821 . . . . 53.24 113.039 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.789 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.8 mmpt? -105.14 24.23 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.327 0.584 . . . . 75.11 110.442 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -59.34 -25.45 64.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.093 -0.958 . . . . 74.14 112.92 -175.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.8 t70 -61.65 -54.03 48.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.793 0.27 . . . . 61.24 111.213 -176.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.9 m -69.13 -34.48 63.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 54.42 110.899 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.93 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.073 0.463 . . . . 74.5 110.271 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 16.9 tt0 -62.53 -45.05 94.72 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.668 -0.696 . . . . 72.22 110.659 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 24.5 mmt180 -49.24 -42.4 40.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.183 -0.917 . . . . 71.42 111.031 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 39' ' ' ILE . 4.3 mm? -73.57 -48.14 35.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 74.01 111.97 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -66.15 -35.24 79.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.192 0.52 . . . . 65.42 111.293 -176.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -65.16 -34.78 79.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.681 -0.69 . . . . 64.14 109.945 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.539 ' O ' HG13 ' A' ' 82' ' ' ILE . 8.2 tpp180 -75.55 -30.82 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.051 -0.522 . . . . 52.32 110.471 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 75' ' ' LEU . 84.0 t -58.83 -42.56 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 121.315 0.579 . . . . 51.22 109.522 172.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.4 m -65.7 -34.25 77.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.343 -0.844 . . . . 65.1 110.462 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . . . -67.63 -34.32 76.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.733 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.652 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 77.3 mt -61.5 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 72.43 109.958 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.595 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.7 mmt -56.64 -34.65 67.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 72.44 111.07 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -57.43 -45.1 85.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 74.51 111.047 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -77.32 -28.78 53.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 74.33 110.905 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.29 90.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.116 0.484 . . . . 72.43 110.413 173.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 83' ' ' MET . 97.7 t -60.62 -28.58 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.922 -0.581 . . . . 74.23 110.874 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -60.01 -32.02 70.48 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.006 0.431 . . . . 72.24 110.756 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.648 ' HB3' ' HD1' ' A' ' 91' ' ' TYR . 2.4 t30 -88.71 -6.37 57.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.07 -0.513 . . . . 75.33 110.806 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 63.97 10.89 5.65 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.522 -0.763 . . . . 63.53 112.999 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.718 ' HE2' ' HA ' ' A' ' 49' ' ' ARG . 43.2 p90 -78.34 -26.81 46.92 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.129 -0.628 . . . . 65.44 111.617 -173.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 91' ' ' TYR . 11.3 pt -89.81 -28.51 5.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 120.987 -0.285 . . . . 74.22 111.431 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 70.27 -60.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.908 0.755 . . . . 52.12 112.068 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 t -83.64 175.03 10.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.752 0.311 . . . . 72.42 110.399 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -115.59 87.52 17.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 53.22 110.397 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -79.45 -175.85 2.95 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.554 2.169 . . . . 71.13 111.89 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.7 18.84 7.56 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.529 -0.759 . . . . 65.31 111.622 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 p -67.71 -26.85 66.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.103 -0.499 . . . . 42.11 111.763 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.29 -12.01 57.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 73.23 111.217 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.0 mmt -57.16 -51.23 70.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.173 0.511 . . . . 70.31 110.954 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.955 -0.566 . . . . 62.03 110.808 -179.283 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.515 ' HE2' ' HG3' ' A' ' 49' ' ' ARG . 9.6 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 122.305 1.05 . . . . 70.42 109.99 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -91.95 165.34 13.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.375 -0.83 . . . . 73.34 109.997 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 13.2 p90 -66.8 -24.58 66.2 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.533 -0.543 . . . . 73.52 109.533 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.69 -44.37 66.21 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.566 -0.743 . . . . 74.45 110.862 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.31 -41.71 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 75.32 110.543 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.4 HG13 HD12 ' A' ' 48' ' ' ILE . 51.7 mm -68.42 -38.22 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 71.4 110.431 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.26 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 70.5 111.374 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -65.14 -28.95 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.487 -0.324 . . . . 73.23 110.927 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -59.66 4.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.547 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HE1' HD13 ' A' ' 82' ' ' ILE . 39.4 p-90 -80.1 -29.33 39.01 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.871 -0.332 . . . . 72.24 111.616 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.44 -28.64 68.05 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.362 0.504 . . . . 65.01 112.362 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG2' ' HD3' ' A' ' 28' ' ' ARG . 19.2 tt0 -72.29 -7.41 49.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.698 0.285 . . . . 62.12 111.725 -173.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 64.01 110.501 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.46 -176.95 0.21 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.77 -0.65 . . . . 75.34 111.715 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -106.27 -46.01 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.402 -0.962 . . . . 65.43 108.402 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 88.78 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.162 -1.421 . . . . 73.44 107.162 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -52.36 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.133 0.896 . . . . 70.23 112.672 -169.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.445 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 15.0 m -156.1 137.23 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 62.32 109.284 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.2 pm0 -69.27 -26.79 64.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.343 -0.39 . . . . 62.24 111.722 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.89 -30.78 67.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.969 0.414 . . . . 70.12 110.309 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 38.4 m170 -71.7 -28.34 63.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 71.32 110.723 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 83.6 mtt180 -56.53 -45.71 81.0 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 123.418 0.449 . . . . 73.32 110.702 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -62.92 -33.64 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 71.03 111.036 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -76.93 -48.9 16.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.526 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.02 -16.46 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 74.45 111.454 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 1.3 tm? -66.3 -47.12 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.389 -0.597 . . . . 75.3 109.389 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -29.87 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.075 -0.511 . . . . 73.52 109.945 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -64.57 -37.79 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 74.14 109.873 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.543 HD12 ' HB ' ' A' ' 39' ' ' ILE . 49.0 tp -58.63 -46.34 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.365 -0.834 . . . . 71.22 110.524 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.35 -34.38 68.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 73.44 112.197 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -95.35 -41.39 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.536 0.569 . . . . 73.52 112.536 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -96.09 -11.81 25.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.811 0.339 . . . . 75.51 111.593 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 35' ' ' LEU . 46.6 mt -135.25 122.56 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-O 121.512 0.672 . . . . 73.21 111.105 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.507 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.1 m-85 71.42 54.12 0.38 Allowed Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 114.382 -1.281 . . . . 75.23 112.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 14.9 Cg_exo -68.44 -51.68 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 121.922 1.748 . . . . 74.12 112.459 -176.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -103.12 -2.02 28.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 63.22 111.926 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 56' ' ' LEU . 33.0 pt -127.8 11.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.763 0.653 . . . . 54.01 112.763 -170.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -97.14 10.16 65.55 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.078 -1.058 . . . . 44.14 113.519 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 p -107.72 4.36 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.081 0.4 . . . . 73.13 112.081 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -99.24 148.47 24.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 71.23 112.188 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.8 163.73 21.14 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.512 -0.767 . . . . 64.4 110.252 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' A' ' 86' ' ' ALA . 18.7 tt -75.51 -28.31 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 111.95 0.352 . . . . 61.11 111.95 -175.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG3' ' HE2' ' A' ' 7' ' ' TYR . 46.2 mtt180 -72.52 -21.33 61.2 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.01 -0.276 . . . . 65.44 111.338 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -114.11 72.26 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.877 0.846 . . . . 60.01 109.481 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB3' ' HG2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -90.88 137.71 32.15 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.725 -1.125 . . . . 74.1 109.194 -179.451 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.901 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.6 mmtp -85.37 164.94 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 70.4 110.563 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -90.9 -161.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.021 -0.536 . . . . 74.43 109.614 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.642 ' H ' HG22 ' A' ' 53' ' ' THR . 16.1 m -59.29 -0.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.129 0.789 . . . . 71.34 113.129 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -58.32 -34.86 71.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.033 0.444 . . . . 71.54 110.195 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.0 pp -77.37 -14.71 59.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 64.43 111.162 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HB ' ' A' ' 60' ' ' ILE . 64.5 tp -78.22 -18.94 54.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 64.04 110.911 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -54.61 -53.05 64.46 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.243 0.46 . . . . 75.23 112.243 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.3 Cg_exo -61.63 -35.32 81.47 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.119 1.88 . . . . 72.32 112.634 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.519 ' HB ' HD12 ' A' ' 57' ' ' LEU . 45.2 mm -71.59 -24.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.471 0.653 . . . . 74.51 109.976 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 5.0 tmtm? -65.71 -26.51 67.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.254 -0.885 . . . . 73.53 109.934 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.84 -28.84 67.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.941 -0.572 . . . . 73.12 110.268 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.9 -39.92 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 73.14 111.031 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 61' ' ' LYS . 2.8 p30 -75.51 -40.17 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.69 -0.404 . . . . 63.23 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.9 m -73.8 -52.86 11.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.815 0.34 . . . . 72.45 111.389 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -91.02 15.6 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.759 -0.201 . . . . 71.01 111.479 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.46 -132.17 1.37 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.319 -0.944 . . . . 64.23 113.036 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.576 ' N ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -88.18 91.81 8.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.665 0.269 . . . . 75.05 110.936 -175.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 64' ' ' ASP . 5.2 p-80 -66.48 -26.64 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 74.31 110.768 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 10.5 t70 -64.39 -52.3 58.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 72.25 110.048 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.4 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.9 t -73.52 -39.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.406 -0.816 . . . . 72.11 111.345 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.35 77.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.629 0.233 . . . . 70.34 111.629 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.327 0.584 . . . . 71.55 110.182 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 48.1 mtt180 -58.0 -44.05 86.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.544 -0.753 . . . . 70.05 110.086 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 83.7 mt -72.33 -30.22 64.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.394 -0.821 . . . . 64.53 112.695 -174.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.33 -36.84 68.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.536 -0.466 . . . . 71.14 111.148 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -56.76 -17.88 10.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.632 -0.713 . . . . 73.42 112.626 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.0 ptt-85 -50.42 -34.21 23.69 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.223 0.453 . . . . 75.43 112.223 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HB ' ' SD ' ' A' ' 100' ' ' MET . 19.4 t -72.11 -33.61 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.414 -0.357 . . . . 74.14 110.676 -176.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.2 m -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.234 0.54 . . . . 73.42 109.936 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.49 ' O ' ' HD1' ' A' ' 85' ' ' TYR . . . -64.86 -45.1 87.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.893 -0.594 . . . . 73.51 109.899 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.429 HD13 ' HE1' ' A' ' 16' ' ' TRP . 35.8 mm -53.11 -44.82 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.969 -0.559 . . . . 74.42 110.254 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.675 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -58.05 -38.57 76.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.121 -0.945 . . . . 54.45 111.194 -177.135 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -70.37 -50.97 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 74.2 111.173 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.49 ' HD1' ' O ' ' A' ' 81' ' ' ALA . 65.1 m-85 -60.18 -30.37 69.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.974 0.416 . . . . 75.54 110.981 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -66.62 -35.29 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 62.41 111.306 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.82 -40.95 21.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.974 0.416 . . . . 74.22 110.089 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.66 -31.48 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 75.44 111.617 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -113.46 10.06 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.668 0.247 . . . . 64.13 111.668 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.27 73.06 0.41 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.594 0.59 . . . . 72.45 112.594 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -110.74 -45.11 3.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.672 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 94' ' ' SER . 25.6 pt -103.56 159.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.387 0.514 . . . . 74.12 112.387 -169.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -112.95 5.53 17.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.81 -0.632 . . . . 71.14 110.518 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.498 ' O ' HD12 ' A' ' 92' ' ' ILE . 33.7 t -154.55 154.29 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 62.24 109.807 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -119.73 85.21 32.81 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.816 0.341 . . . . 75.33 110.899 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.675 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 11.9 Cg_exo -72.17 -44.64 0.8 Allowed 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.835 2.356 . . . . 70.42 113.136 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.32 33.57 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -60.49 -43.28 97.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 51.0 110.213 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -101.71 -69.75 0.77 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.719 -0.673 . . . . 74.33 109.615 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.411 ' SD ' ' HB ' ' A' ' 79' ' ' VAL . 26.9 ttt 72.01 -54.31 0.68 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.932 0.77 . . . . 54.41 112.532 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 O-C-N 123.263 0.352 . . . . 5.21 111.842 -175.7 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 75.21 110.703 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -71.56 129.29 38.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 64.33 111.054 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.898 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.3 t80 -55.49 -48.42 74.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.988 0.423 . . . . 64.35 110.768 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.58 -32.94 67.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 73.43 111.349 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -70.83 -39.37 73.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 73.54 110.622 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.44 -33.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 73.12 110.144 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.81 69.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 61.21 111.107 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -66.5 -30.55 70.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 71.3 111.003 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -57.57 10.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.628 -0.715 . . . . 73.32 110.934 -174.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 56.4 p-90 -79.2 -35.13 42.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 73.01 111.788 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -69.07 -23.82 64.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.941 0.348 . . . . 71.02 111.941 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -52.7 -25.98 12.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.037 0.535 . . . . 65.23 111.585 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -58.84 -23.03 60.11 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.107 -0.497 . . . . 75.35 111.248 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -120.66 23.11 10.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.879 0.371 . . . . 54.34 111.342 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 47.7 mmtt -141.99 173.5 11.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.815 0.34 . . . . 73.31 111.237 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 7.8 mpt_? -125.63 160.89 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 64.0 109.238 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 m-90 -68.92 89.5 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.439 0.462 . . . . 72.05 111.573 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 m -143.99 100.29 3.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.616 -0.72 . . . . 64.34 109.55 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.72 -30.57 70.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.395 . . . . 71.31 111.835 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.32 -44.23 96.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.02 0.438 . . . . 74.15 110.324 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -64.32 -41.76 96.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.758 -0.656 . . . . 64.13 109.254 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 64.4 ttt-85 -57.58 -47.4 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 73.25 110.869 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -65.04 -36.99 86.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.106 0.41 . . . . 70.44 112.106 -176.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 30' ' ' ARG . 67.1 mtt180 -81.28 -43.37 19.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.617 0.229 . . . . 74.33 111.617 -176.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.28 -26.81 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 35.31 110.239 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 10.6 tt -57.73 -37.34 73.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.549 176.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.85 -41.96 82.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 71.23 110.04 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.8 -44.02 94.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.34 109.777 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD12 HG13 ' A' ' 39' ' ' ILE . 51.5 tp -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.408 -0.815 . . . . 44.31 110.556 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.36 -55.13 34.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 74.44 111.628 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.38 -26.03 66.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.646 0.61 . . . . 75.13 112.646 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -104.81 -36.58 7.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.473 0.546 . . . . 73.5 112.473 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.516 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 48.8 mm -95.3 -32.76 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.911 -0.316 . . . . 74.13 111.452 -175.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m-85 -125.47 54.53 10.13 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 121.042 -0.263 . . . . 73.05 111.352 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 10.5 Cg_exo -70.15 -56.48 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.674 1.583 . . . . 64.34 112.519 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -105.5 -2.29 23.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 53.22 111.355 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.8 pt -112.56 13.68 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 111.707 0.262 . . . . 75.33 111.707 -174.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.25 -4.54 37.19 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.198 -0.525 . . . . 65.23 113.565 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 m -86.46 -1.07 57.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.977 0.388 . . . . 70.53 110.949 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -82.89 134.87 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.407 -0.36 . . . . 63.32 110.587 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.26 142.92 30.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.969 -0.752 . . . . 75.41 108.969 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.898 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 14.8 tt -58.78 -20.35 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 112.62 0.6 . . . . 75.41 112.62 -174.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -67.56 -21.7 65.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.806 0.336 . . . . 71.24 111.168 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -146.21 83.59 1.62 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.625 0.726 . . . . 73.01 109.871 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.626 HD13 ' H ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -77.82 150.11 34.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.977 -1.011 . . . . 71.53 109.004 178.265 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 56' ' ' LEU . 97.5 mttt -94.43 170.41 9.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.128 0.49 . . . . 64.42 111.826 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.774 HG22 ' H ' ' A' ' 54' ' ' SER . 2.5 m -73.92 -179.39 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.015 178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.774 ' H ' HG22 ' A' ' 53' ' ' THR . 3.4 m -68.01 12.57 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.547 0.943 . . . . 72.24 113.547 -172.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -74.8 -25.98 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 72.22 109.94 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 52' ' ' LYS . 3.6 pp -67.82 -13.69 62.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.685 -0.689 . . . . 73.4 111.638 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HG ' ' HG2' ' A' ' 61' ' ' LYS . 55.8 tp -72.94 -17.71 61.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.368 -0.378 . . . . 74.11 111.984 -176.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.12 -52.07 65.64 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.869 0.692 . . . . 51.23 112.869 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.619 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 71.0 Cg_exo -50.39 -48.82 18.53 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.508 2.139 . . . . 74.42 113.326 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 60' ' ' ILE . 4.1 mp -64.34 -31.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.31 0.576 . . . . 72.11 110.349 -178.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 58.5 mmtt -69.14 -24.41 64.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 74.14 112.054 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.39 -47.41 79.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.279 -0.419 . . . . 75.45 110.263 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.62 HG12 ' HB2' ' A' ' 68' ' ' LYS . 19.9 t -77.17 -34.23 21.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.409 0.624 . . . . 61.44 109.947 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.613 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.5 t70 -54.45 -54.25 43.28 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.974 -1.012 . . . . 75.42 111.177 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -64.87 -23.76 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.698 -0.683 . . . . 53.02 112.124 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.5 m -71.68 -11.52 60.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.838 0.351 . . . . 72.4 110.856 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.93 -11.21 7.82 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.782 -0.723 . . . . 64.31 112.372 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.958 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.6 mmpt? -87.01 22.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.261 0.553 . . . . 73.13 111.322 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 4.2 p-80 -61.05 -14.37 23.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.391 -0.822 . . . . 75.21 111.794 176.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.07 -50.37 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.224 -0.287 . . . . 43.34 110.224 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.32 -37.36 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 54.11 110.779 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.568 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . . . -60.13 -57.25 13.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 64.14 111.938 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.3 tp60 -57.88 -47.09 83.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 70.01 110.883 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -49.33 72.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.26 -0.882 . . . . 73.03 111.742 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.98 -35.21 64.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.111 0.412 . . . . 61.24 112.111 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.3 pp0? -70.63 -44.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.277 . . . . 72.12 111.076 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -66.43 -19.02 65.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.11 0.481 . . . . 72.0 110.735 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -64.65 -27.37 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 64.05 111.394 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 76' ' ' GLN . 7.4 p -64.89 -31.8 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.906 0.384 . . . . 64.41 110.72 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.2 m -61.17 -31.05 70.79 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.015 0.436 . . . . 73.22 110.466 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.75 61.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 42.31 110.383 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.5 -35.04 68.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.864 -0.607 . . . . 75.42 109.957 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.558 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 10.9 mmt -60.33 -33.03 71.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.677 -0.692 . . . . 73.13 111.449 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -68.35 -31.34 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.75 0.309 . . . . 64.12 110.992 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 16' ' ' TRP . 19.1 m-85 -73.09 -29.57 63.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 65.21 110.417 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.87 75.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.071 -0.513 . . . . 65.2 110.052 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 83' ' ' MET . 92.4 t -66.78 -36.07 76.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.306 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.682 . . . . 73.12 110.167 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -95.29 5.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 73.41 111.098 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.4 t70 53.21 39.02 29.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.922 0.868 . . . . 52.43 110.439 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.611 ' HE2' HG23 ' A' ' 48' ' ' ILE . 8.6 t80 -87.39 -20.14 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.309 -0.86 . . . . 73.3 110.905 -174.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.5 pt -117.01 154.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 75.24 110.646 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.17 -31.39 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.362 0.601 . . . . 73.13 110.198 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.9 m -110.16 162.27 14.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.012 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -118.17 86.28 26.36 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.904 0.383 . . . . 64.45 110.763 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.72 -175.38 2.26 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.518 2.145 . . . . 75.42 111.861 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.2 12.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.157 -0.474 . . . . 62.43 111.459 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -89.31 -17.51 28.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.92 0.39 . . . . 54.44 110.674 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -125.24 68.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.445 0.641 . . . . 73.3 110.659 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.78 13.62 18.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.928 -0.578 . . . . 73.13 110.239 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.565 -0.743 . . . . 64.23 110.194 178.938 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 121.932 0.873 . . . . 75.12 108.646 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 11' ' ' THR . 0.3 OUTLIER -62.56 161.95 11.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 113.893 -1.503 . . . . 62.24 111.132 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.474 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 42.7 t80 -49.05 -49.18 42.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 75.44 112.287 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -37.69 77.48 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 121.241 -0.184 . . . . 72.51 111.341 -173.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 8' ' ' THR . 12.4 t -70.36 -30.96 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.871 -0.518 . . . . 71.44 111.279 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 86' ' ' ALA . 60.0 mt -76.13 -38.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.547 -0.538 . . . . 74.11 109.547 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -63.92 -29.49 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 74.12 110.331 174.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.492 HH21 ' CD ' ' A' ' 25' ' ' GLU . 3.3 mmt-85 -52.92 -32.4 45.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.708 -0.678 . . . . 74.2 112.153 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -57.25 -55.29 36.62 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.505 0.503 . . . . 75.11 110.547 -176.694 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.644 ' HE1' HG12 ' A' ' 82' ' ' ILE . 70.1 p-90 -80.64 -32.57 36.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.726 -0.215 . . . . 72.22 111.001 175.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -50.93 -28.33 9.49 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.88 0.696 . . . . 51.53 112.88 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 9.9 pt-20 -65.49 -20.7 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.518 0.199 . . . . 74.54 111.489 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -79.0 -20.57 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.45 . . . . 63.13 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -78.97 176.89 9.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 73.41 109.719 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.688 ' HB3' ' HZ3' ' A' ' 23' ' ' TRP . 62.9 mmtt -72.79 99.43 2.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.636 0.731 . . . . 73.21 111.328 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HD3' ' OE2' ' A' ' 25' ' ' GLU . 1.2 tmm_? -137.42 98.29 3.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.93 -1.032 . . . . 73.23 109.169 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.688 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 44.0 p90 -106.6 -1.89 22.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.487 -0.779 . . . . 73.14 110.772 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -163.2 140.28 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.935 -0.575 . . . . 74.22 110.234 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 21.4 mm-40 -69.16 -27.37 65.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.655 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.47 -35.72 74.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 74.22 110.852 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -63.86 -28.31 69.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.643 -0.708 . . . . 62.52 111.283 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 23.8 ptt180 -72.22 -24.55 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.563 -0.455 . . . . 72.24 110.293 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -73.0 -33.09 65.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.228 0.537 . . . . 71.21 110.298 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.4 -39.05 62.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 70.34 111.007 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 28' ' ' ARG . 32.7 m -83.71 -14.61 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 74.35 111.271 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 7.4 tt -53.13 -51.45 61.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.871 0.367 . . . . 63.32 110.377 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.376 -0.374 . . . . 75.41 110.812 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -70.18 -48.24 58.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 74.45 110.522 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HA ' HG12 ' A' ' 39' ' ' ILE . 4.0 pp -70.46 -29.55 66.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 71.24 111.155 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 43.8 tt0 -75.0 -29.93 61.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 73.43 111.205 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 41' ' ' PRO . 41.2 tp -98.61 -27.11 14.15 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.341 0.497 . . . . 53.44 112.341 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -108.8 -34.96 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.523 0.564 . . . . 54.53 112.523 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG12 ' HA ' ' A' ' 35' ' ' LEU . 43.8 mm -85.3 -57.68 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.757 0.313 . . . . 72.5 110.405 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' HG13 ' A' ' 43' ' ' ILE . 8.5 p90 -131.23 76.22 76.55 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.067 0.461 . . . . 72.03 110.885 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 56.1 Cg_endo -76.01 -57.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.498 2.132 . . . . 40.13 113.884 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.93 -16.23 34.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 74.0 110.618 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.641 HG13 ' HB2' ' A' ' 40' ' ' PHE . 24.1 pt -102.85 9.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.54 . . . . 73.24 110.454 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.473 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -74.82 1.75 52.48 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.87 -0.605 . . . . 62.33 112.298 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 p -87.75 -10.73 50.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.169 0.509 . . . . 75.11 110.002 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -107.56 113.02 26.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.677 -0.692 . . . . 72.41 110.471 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 23.0 t70 -79.78 161.92 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.887 -0.597 . . . . 72.43 110.04 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 12' ' ' ILE . 16.5 tt -57.04 -23.87 19.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 122.591 0.356 . . . . 72.01 111.495 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 47' ' ' ASP . 24.9 ptt180 -54.75 -26.79 36.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.147 -0.479 . . . . 75.02 111.168 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -148.75 85.37 1.49 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.891 0.377 . . . . 74.44 110.508 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 52' ' ' LYS . 18.5 tp -92.67 161.77 14.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.699 -0.482 . . . . 63.43 109.699 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 94.2 mttt -117.38 176.47 5.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 61.21 110.405 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -69.68 -164.4 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.015 0.436 . . . . 74.12 111.628 -178.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.56 ' H ' HG22 ' A' ' 53' ' ' THR . 16.0 m -66.48 11.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.853 0.686 . . . . 72.44 112.853 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -65.62 -28.4 69.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.262 -0.644 . . . . 73.12 109.262 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.59 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.6 pp -73.48 -14.91 61.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.267 -0.878 . . . . 71.54 111.169 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 tp -73.28 -21.39 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 52.14 110.589 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.647 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -59.15 -51.29 82.75 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.026 0.38 . . . . 60.05 112.026 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 50.5 Cg_exo -56.84 -31.59 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.213 1.942 . . . . 73.21 112.84 173.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -68.55 -28.63 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.888 -0.412 . . . . 70.23 109.888 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.871 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 0.6 OUTLIER -68.94 -25.33 64.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 73.01 110.448 -178.055 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -58.34 -49.91 75.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 74.2 109.995 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.74 -33.29 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.002 0.43 . . . . 64.44 110.429 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.871 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.46 -58.01 10.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.776 -0.647 . . . . 65.4 111.908 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -71.71 -12.62 61.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.451 . . . . 75.31 111.237 -173.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -15.7 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.957 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.3 -3.13 7.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.59 -0.815 . . . . 72.24 112.349 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 18.66 10.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.794 0.33 . . . . 71.31 110.179 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.462 ' HB2' ' OD1' ' A' ' 64' ' ' ASP . 5.4 p-80 -54.65 -41.91 70.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.363 -0.835 . . . . 73.15 112.148 -170.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.84 -38.94 61.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 75.45 110.464 -174.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 38.7 t -72.98 -48.86 42.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.683 -0.69 . . . . 74.21 110.445 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.18 93.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.957 -0.565 . . . . 63.03 111.29 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 17.2 tt0 -59.12 -46.42 88.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 74.11 110.968 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -63.06 -38.41 91.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.261 -0.881 . . . . 64.34 110.813 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 97.4 mt -73.19 -46.54 49.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.452 -0.34 . . . . 72.51 111.438 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 79' ' ' VAL . 4.7 pp0? -61.48 -37.54 83.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 73.43 111.143 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -20.02 62.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.762 -0.654 . . . . 64.34 111.41 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.58 ' O ' HG13 ' A' ' 82' ' ' ILE . 28.3 mmt180 -64.11 -32.52 74.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.732 -0.213 . . . . 74.42 111.319 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 76' ' ' GLN . 13.2 m -66.91 -31.91 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.794 0.33 . . . . 74.25 110.296 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.561 HG23 ' HB1' ' A' ' 97' ' ' ALA . 3.1 m -60.83 -40.38 92.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.072 -0.513 . . . . 54.24 110.351 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.4 81.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.781 -0.645 . . . . 65.11 110.565 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.644 HG12 ' HE1' ' A' ' 16' ' ' TRP . 40.7 mt -59.89 -45.08 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.102 177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 92.7 mmm -64.49 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 75.4 110.945 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 2.7 tmt_? -67.14 -38.84 86.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.263 -0.426 . . . . 75.02 110.023 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -73.99 -41.63 61.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.002 0.429 . . . . 73.14 110.387 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 12' ' ' ILE . . . -65.01 -40.87 95.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.296 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 84' ' ' ARG . 2.7 p -68.1 -27.62 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.436 -0.347 . . . . 74.34 110.508 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -64.28 -32.72 74.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.823 -0.626 . . . . 72.13 109.7 -175.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -89.01 1.23 55.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 75.53 110.577 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.4 t0 55.72 40.28 30.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.074 0.94 . . . . 74.24 109.209 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -101.07 -18.12 16.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.937 -1.029 . . . . 55.14 112.081 -168.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.551 HG13 ' H ' ' A' ' 93' ' ' ASP . 2.1 pt -103.41 -88.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.758 1.021 . . . . 74.45 113.758 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.551 ' H ' HG13 ' A' ' 92' ' ' ILE . 35.3 t70 -177.34 46.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.424 -0.584 . . . . 72.35 109.424 -170.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.595 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 56.8 m 71.45 -158.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.157 -0.928 . . . . 52.41 110.591 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.85 87.71 7.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 111.937 0.347 . . . . 64.43 111.937 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.595 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.1 Cg_exo -76.64 -17.98 15.67 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.697 2.265 . . . . 62.3 112.255 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.561 ' HB1' HG23 ' A' ' 80' ' ' THR . . . -93.91 82.68 4.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.196 0.522 . . . . 73.11 110.822 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -133.6 139.06 46.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.91 -0.586 . . . . 73.14 110.073 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.06 15.37 10.05 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.101 0.953 . . . . 34.14 109.646 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.7 -33.93 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.956 -1.02 . . . . 73.22 110.765 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 62.12 111.06 179.046 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.42 ' CE2' HG12 ' A' ' 12' ' ' ILE . 11.1 t80 . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 121.687 0.756 . . . . 64.42 109.054 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' HG13 ' A' ' 12' ' ' ILE . 12.6 m -61.59 142.73 56.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.693 -1.14 . . . . 62.54 112.681 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.789 ' HD1' ' HB ' ' A' ' 48' ' ' ILE . 93.5 t80 -49.18 -46.33 45.32 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.159 -0.928 . . . . 73.31 111.673 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.44 -33.23 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 71.24 110.642 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 m -68.33 -40.18 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.059 0.457 . . . . 55.53 110.637 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 86' ' ' ALA . 22.5 mt -63.72 -41.15 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 44.11 109.933 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -65.03 -37.78 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 63.4 110.553 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.475 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 21.5 ttt180 -63.75 -37.3 86.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.936 -0.575 . . . . 74.3 111.201 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.85 -55.23 28.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.977 -0.556 . . . . 74.0 111.463 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.703 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.7 p-90 -79.15 -25.16 42.88 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.272 -0.571 . . . . 74.44 110.887 178.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 81.9 t60 -61.03 -31.25 70.88 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.827 -0.17 . . . . 61.34 111.358 174.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.6 mt-10 -72.79 -3.27 24.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.739 0.305 . . . . 74.23 111.184 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 m -88.59 0.37 56.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.296 0.569 . . . . 64.54 109.563 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -106.32 -174.91 2.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.575 -0.739 . . . . 54.3 109.102 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 1.5 tmtp? -113.99 -26.27 8.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.501 0.185 . . . . 62.34 111.501 -174.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HG3' ' H ' ' A' ' 23' ' ' TRP . 6.2 tpt180 -92.71 174.79 7.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.156 0.503 . . . . 73.01 111.472 -172.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.518 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 9.1 m95 49.7 81.0 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.731 -1.122 . . . . 71.31 112.965 -177.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -73.87 174.72 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.271 -0.877 . . . . 62.5 109.31 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.95 -41.75 92.55 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.687 0.254 . . . . 75.3 111.687 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.34 -46.02 69.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 71.31 110.661 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -73.75 -30.24 62.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 64.44 110.389 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.9 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.53 . . . . 71.45 110.036 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -67.82 -35.06 77.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.141 -0.481 . . . . 73.41 111.287 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -78.99 -42.31 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 74.43 110.983 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -62.82 -13.87 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.88 -0.6 . . . . 54.44 111.091 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 2.6 tm? -51.64 -32.17 28.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.668 0.387 . . . . 60.43 110.999 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -66.84 -51.77 51.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 74.32 110.253 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.31 -34.95 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 74.12 110.133 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.957 HD22 ' HB ' ' A' ' 39' ' ' ILE . 2.5 tm? -52.48 -59.95 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.949 -1.023 . . . . 51.25 109.65 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 43.9 mt-10 -55.51 -30.31 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.994 0.738 . . . . 75.32 112.994 -174.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 37' ' ' LEU . 4.0 mm? -92.68 -39.47 11.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.753 0.649 . . . . 63.3 112.753 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -113.25 -41.64 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.802 0.667 . . . . 72.22 112.802 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.957 ' HB ' HD22 ' A' ' 35' ' ' LEU . 34.7 mm -100.84 102.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 71.13 109.581 -173.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CZ ' ' HE2' ' A' ' 9' ' ' PHE . 5.0 m-85 67.25 58.37 0.85 Allowed Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 114.112 -1.404 . . . . 75.44 109.444 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 29.4 Cg_endo -63.38 -56.54 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.18 1.92 . . . . 75.11 113.412 -170.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.98 -5.7 21.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 71.45 110.668 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 40' ' ' PHE . 30.0 pt -105.53 -9.92 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.271 -0.422 . . . . 73.35 111.212 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.23 33.8 2.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.093 -0.575 . . . . 72.13 112.413 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -107.93 -10.37 15.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.575 -0.528 . . . . 73.15 109.575 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -131.07 140.44 50.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 43.31 110.2 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.44 164.11 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.397 -0.365 . . . . 74.42 110.968 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.861 ' HA ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 tt -57.31 -34.89 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 113.095 0.776 . . . . 73.3 113.095 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 92' ' ' ILE . 70.4 ttt180 -66.17 -9.59 33.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.33 111.646 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.23 18.07 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.313 -0.403 . . . . 34.12 110.535 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.861 ' HG ' ' HA ' ' A' ' 48' ' ' ILE . 20.9 mt -59.28 162.18 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.427 0.632 . . . . 71.21 111.36 173.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -109.34 176.09 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.57 -0.741 . . . . 72.3 111.07 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.454 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.4 p -73.14 -162.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.786 -0.643 . . . . 61.23 111.987 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.3 m -60.6 5.56 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.95 1.093 . . . . 75.23 113.95 -170.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -64.86 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.387 -0.598 . . . . 73.03 109.387 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 60' ' ' ILE . 1.5 pt? -65.73 -14.25 60.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.271 -0.877 . . . . 61.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.42 -18.93 63.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.57 -0.286 . . . . 75.01 111.452 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.63 -55.49 44.2 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.485 0.55 . . . . 61.02 112.485 -177.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 36.5 Cg_endo -67.57 -18.49 48.68 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.745 1.63 . . . . 61.01 113.21 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.603 HG23 ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp -79.11 -26.7 13.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.949 -0.76 . . . . 74.13 108.949 172.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -71.65 -40.43 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.885 -0.598 . . . . 73.24 110.542 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 59' ' ' PRO . 12.5 pt-20 -67.11 -35.5 79.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.325 -0.398 . . . . 73.0 110.912 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 60' ' ' ILE . 27.6 m -76.43 -30.13 19.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.033 0.444 . . . . 61.23 110.477 176.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.578 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -61.01 -46.02 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 73.35 110.289 171.482 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.0 m -79.99 -12.76 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.56 . . . . 73.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 t -72.69 -22.11 60.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 42.22 110.414 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.64 -31.14 3.45 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.756 -0.735 . . . . 73.34 112.179 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.95 51.99 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 75.51 110.462 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 6.3 p80 -68.95 -19.76 64.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.3 -0.864 . . . . 62.15 110.879 -177.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.42 -42.18 75.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 74.23 109.725 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.6 -45.35 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 64.12 109.763 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.603 ' HB1' HG23 ' A' ' 60' ' ' ILE . . . -55.74 -49.35 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.741 . . . . 72.34 111.099 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -56.45 -47.36 79.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.37 0.605 . . . . 51.23 110.443 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -57.97 -40.9 81.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.332 -0.849 . . . . 60.13 111.599 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 39' ' ' ILE . 2.4 mm? -59.25 -40.98 87.66 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.875 0.11 . . . . 73.33 111.244 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -61.55 -46.76 88.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.69 0.757 . . . . 61.54 109.632 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -64.02 -42.06 97.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.825 -1.079 . . . . 60.51 110.886 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.537 HH11 HD22 ' A' ' 75' ' ' LEU . 59.2 mtt85 -57.39 -53.18 61.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.946 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.648 ' O ' ' HG2' ' A' ' 83' ' ' MET . 33.5 m -66.28 -32.26 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.009 -0.276 . . . . 60.23 111.241 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.6 m -59.11 -44.38 91.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.738 0.304 . . . . 72.33 110.701 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.8 90.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.265 -0.425 . . . . 75.15 110.324 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.703 HG12 ' HE1' ' A' ' 16' ' ' TRP . 77.0 mt -59.3 -41.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 70.12 110.998 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 38.6 mmt -54.35 -51.03 66.04 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.264 -0.425 . . . . 65.44 110.489 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.8 ttm180 -58.92 -45.11 91.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 74.11 111.774 -175.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -68.06 -34.39 76.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.82 0.343 . . . . 75.04 111.167 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 12' ' ' ILE . . . -69.48 -37.03 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 75.11 110.854 178.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 83' ' ' MET . 96.1 t -65.62 -40.07 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 71.13 110.569 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 79.1 mm-40 -62.69 -32.69 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 70.34 111.271 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -5.19 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.43 -0.35 . . . . 70.35 110.981 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.56 26.12 15.52 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.55 0.574 . . . . 63.45 112.55 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -91.17 -51.9 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.286 0.476 . . . . 51.23 112.286 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.517 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 41.2 pt -69.35 -23.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.656 0.243 . . . . 61.03 111.656 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 70.75 -59.27 0.54 Allowed 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.044 0.84 . . . . 71.2 111.846 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -81.42 171.67 14.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.083 -0.508 . . . . 64.11 110.756 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -119.87 85.91 35.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.913 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.59 ' HG2' ' SD ' ' A' ' 83' ' ' MET . 72.3 Cg_endo -78.97 -178.15 4.44 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.711 1.607 . . . . 65.54 111.136 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 50.81 26.04 2.42 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.289 0.368 . . . . 63.11 111.78 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -66.6 0.5 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.007 0.432 . . . . 72.21 111.179 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.31 64.23 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.244 -1.021 . . . . 53.05 108.244 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.448 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.8 tmt? -96.48 -34.77 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.654 -1.157 . . . . 72.34 111.254 -170.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.321 -0.4 . . . . 53.05 110.296 -178.738 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.127 0.489 . . . . 72.0 110.574 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 11' ' ' THR . 12.4 p -106.14 -167.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 71.43 111.473 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.411 ' N ' ' HB ' ' A' ' 48' ' ' ILE . 50.4 t80 -66.9 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.438 . . . . 53.2 110.981 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -61.71 -42.4 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 75.14 111.882 -175.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 8' ' ' THR . 15.3 t -66.12 -29.78 70.15 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.951 0.352 . . . . 51.33 111.951 -171.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 85' ' ' TYR . 46.1 mm -72.52 -46.59 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 73.42 110.331 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.62 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.21 0.529 . . . . 73.12 110.262 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.69 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 2.2 tmt_? -58.77 -28.77 66.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.108 -0.951 . . . . 73.42 111.136 -177.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.22 -59.1 2.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 33.31 111.566 -174.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -81.64 -35.17 30.31 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.459 0.54 . . . . 74.41 112.459 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -73.47 -22.29 60.2 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.385 0.513 . . . . 72.43 112.385 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.9 tt0 -50.11 -47.72 53.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.987 0.736 . . . . 64.44 112.987 -169.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 t -84.46 3.88 34.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.024 0.379 . . . . 63.25 112.024 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.24 99.79 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.788 -0.365 . . . . 72.05 111.976 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -172.34 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.603 . . . . 73.21 109.514 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HD2' ' OG ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -162.83 114.33 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.91 -0.774 . . . . 72.15 108.91 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -71.79 91.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 70.41 111.424 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 22' ' ' ARG . 10.6 p 175.95 119.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.165 -0.925 . . . . 65.23 109.193 173.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.5 pm0 -62.63 -32.68 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.362 0.505 . . . . 73.22 112.362 -172.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.28 -47.47 79.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.304 0.573 . . . . 70.43 110.402 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 31' ' ' VAL . 9.5 m-70 -72.57 -33.16 66.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 72.14 109.5 -178.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.3 tpt85 -65.55 -37.71 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.406 -0.815 . . . . 74.13 111.246 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -77.42 -39.96 45.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.65 0.262 . . . . 71.45 111.413 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -64.85 -33.83 76.93 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.913 0.338 . . . . 70.42 111.913 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 28' ' ' ARG . 27.8 m -66.09 -16.18 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.634 0.254 . . . . 73.53 111.474 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.77 -36.38 84.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.476 . . . . 64.41 109.892 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -71.75 -32.91 68.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.044 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.77 -24.33 59.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 75.01 109.684 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' A' ' 39' ' ' ILE . 29.4 tp -60.91 -31.88 71.37 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.387 -0.824 . . . . 62.01 110.514 177.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -75.33 -29.26 59.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 65.31 110.995 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 38' ' ' TYR . 3.1 tt -81.32 -65.25 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 72.41 111.51 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD2' HD22 ' A' ' 37' ' ' LEU . 2.6 m-85 -102.9 5.87 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.317 0.488 . . . . 72.53 112.317 -172.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.64 ' HB ' ' O ' ' A' ' 35' ' ' LEU . 29.2 mm -121.5 129.26 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 109.007 -0.738 . . . . 60.23 109.007 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.771 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 36.7 m-85 65.06 54.83 1.2 Allowed Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.633 -1.167 . . . . 72.15 111.047 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -55.76 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.067 1.845 . . . . 74.54 112.557 -175.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -105.2 -10.85 16.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 64.52 110.699 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 56' ' ' LEU . 36.2 pt -112.04 15.03 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.267 -0.424 . . . . 74.22 112.097 -170.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.771 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -60.95 -29.22 70.15 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.167 -0.54 . . . . 43.14 113.784 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.7 m -96.32 16.36 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.141 0.423 . . . . 64.2 112.141 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -75.82 169.9 17.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.745 0.307 . . . . 71.0 110.657 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -104.67 165.06 11.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 74.32 109.395 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' HB ' ' N ' ' A' ' 9' ' ' PHE . 6.2 tt -77.71 -38.38 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.915 0.388 . . . . 40.34 110.118 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' ' 92' ' ' ILE . 35.3 mtp180 -80.69 -22.91 39.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.369 -0.604 . . . . 54.43 109.369 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -131.96 85.05 2.21 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.335 -0.848 . . . . 72.34 110.387 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -96.22 160.97 14.15 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.488 -1.233 . . . . 64.14 109.484 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -75.9 158.39 32.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 73.54 111.528 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.407 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.27 -162.3 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.53 -0.759 . . . . 72.25 110.751 175.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' A' ' 100' ' ' MET . 16.9 m -65.49 8.31 0.17 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.537 0.569 . . . . 52.31 112.537 -175.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 53' ' ' THR . 24.4 m80 -70.05 -26.77 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.169 -0.678 . . . . 63.44 109.169 173.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' HB3' HG21 ' A' ' 43' ' ' ILE . 4.5 pp -65.59 -15.62 62.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.53 -0.759 . . . . 73.22 111.288 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.31 -24.09 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.389 . . . . 72.52 111.021 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -55.38 45.44 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.106 0.41 . . . . 72.12 112.106 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.33 -24.25 37.48 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.743 1.629 . . . . 50.22 112.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 63' ' ' VAL . 47.7 mm -73.81 -24.29 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 73.13 109.536 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -70.3 -39.78 74.63 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.601 -0.439 . . . . 71.13 110.872 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.85 -33.59 70.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.766 -0.373 . . . . 71.21 110.86 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 10.8 m -74.19 -31.62 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.507 -0.553 . . . . 70.42 109.507 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -56.33 23.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.492 -0.776 . . . . 61.21 110.499 172.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -72.42 -12.47 61.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.492 -0.776 . . . . 71.12 111.188 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -66.49 -11.5 52.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.185 -0.461 . . . . 61.33 110.605 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.74 3.89 10.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.362 -0.923 . . . . 40.14 113.117 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -122.19 56.15 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.569 0.699 . . . . 74.44 110.621 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -58.95 -42.16 89.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 72.41 110.472 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 7.9 m-20 -61.38 -44.07 97.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.614 -0.721 . . . . 54.2 110.271 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 44.9 t -63.99 -46.62 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.62 -0.718 . . . . 52.53 110.295 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -55.84 -47.55 77.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 73.43 111.22 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -61.04 -44.3 97.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.048 0.451 . . . . 71.43 111.185 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.614 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 5.8 mpt_? -60.19 -41.05 92.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.986 -0.552 . . . . 72.43 111.176 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 88.1 mt -61.06 -36.38 79.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.681 0.252 . . . . 72.32 111.681 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 9.1 mm-40 -56.09 -50.42 71.08 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.731 . . . . 53.44 109.732 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.89 -20.73 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.803 -1.09 . . . . 63.4 111.737 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.614 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 6.2 mpt_? -72.33 -53.61 11.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.679 -0.237 . . . . 73.12 111.136 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.54 -34.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.848 0.314 . . . . 71.52 111.848 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.3 m -64.33 -40.04 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 54.41 110.483 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.06 81.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 52.01 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 78' ' ' ARG . 57.7 mt -64.57 -51.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 71.45 110.047 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.536 ' HG3' HD13 ' A' ' 92' ' ' ILE . 32.8 ttm -59.68 -39.96 86.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.316 -0.856 . . . . 71.41 111.702 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 19.3 tpt180 -66.04 -29.09 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.708 -0.224 . . . . 61.4 111.453 -175.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.424 ' HD2' HG23 ' A' ' 12' ' ' ILE . 25.5 t80 -74.79 -34.8 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 64.41 109.86 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.73 -17.87 64.13 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.798 -0.637 . . . . 72.13 111.777 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.496 HG22 HD11 ' A' ' 92' ' ' ILE . 58.5 t -58.91 -44.23 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.948 0.404 . . . . 70.14 110.191 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -71.28 -23.7 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 62.32 110.257 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -87.58 7.0 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.526 -0.761 . . . . 73.24 111.367 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.95 3.1 4.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 112.356 0.502 . . . . 71.43 112.356 172.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.57 -52.94 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 72.51 111.894 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' A' ' 83' ' ' MET . 29.2 pt -102.62 160.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.09 0.472 . . . . 71.22 112.002 -173.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.14 -31.27 6.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.541 -0.754 . . . . 73.14 110.411 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 23.1 t -130.28 156.94 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 63.34 110.085 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.409 HD21 HG22 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -112.87 87.33 10.05 Favored Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.462 -0.336 . . . . 74.23 110.94 -179.013 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.456 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 16.4 Cg_exo -68.33 -16.04 43.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.678 2.252 . . . . 75.11 112.528 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.77 6.91 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 74.04 111.789 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -90.9 -8.33 49.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 63.22 111.233 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.39 -39.44 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.723 0.297 . . . . 55.14 111.674 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.666 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 2.0 ppp? -70.05 -27.19 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 65.41 112.727 -173.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.187 0.518 . . . . 52.51 111.136 -177.106 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.442 0.534 . . . . 73.04 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 21.1 m -91.81 128.24 37.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.112 -0.494 . . . . 70.24 110.204 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -52.28 -50.12 62.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.06 -0.518 . . . . 74.14 111.809 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.47 -31.99 72.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 71.24 111.428 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.415 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 20.6 m -73.04 -31.76 64.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.376 . . . . 75.14 111.423 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.2 -28.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.374 0.607 . . . . 72.41 109.389 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 71.34 110.931 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 17.3 tpp180 -51.75 -35.73 44.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.043 -0.526 . . . . 64.35 111.794 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 55.02 111.398 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -82.48 -28.28 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.781 0.289 . . . . 71.31 111.781 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 53.6 t60 -52.13 -28.8 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.704 0.631 . . . . 75.14 112.704 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 21.4 mm-40 -63.77 -8.11 9.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.177 0.436 . . . . 51.11 112.177 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -80.59 -14.88 57.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 61.12 110.345 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -96.69 157.54 15.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 75.33 109.881 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -130.74 170.73 13.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.718 0.294 . . . . 72.32 111.603 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 4.3 tmt_? 67.2 90.42 0.09 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.228 -0.896 . . . . 73.24 110.696 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -134.57 -178.61 5.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.636 -0.711 . . . . 74.14 110.426 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -155.75 115.74 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.605 . . . . 64.04 109.499 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -62.1 -27.79 69.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.122 -0.49 . . . . 61.55 112.079 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.29 -51.45 20.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.962 0.411 . . . . 74.2 110.702 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.9 -27.54 64.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.354 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -47.53 -46.98 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 61.32 111.68 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -71.42 -28.01 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 71.13 111.47 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.64 -46.29 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.855 0.36 . . . . 71.54 110.208 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.93 -20.26 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 71.05 110.421 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.21 -36.29 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 65.4 110.472 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.4 HH11 HD11 ' A' ' 37' ' ' LEU . 3.9 mmt180 -65.71 -38.29 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 72.24 110.826 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 81.1 t80 -67.98 -39.27 83.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.511 -0.552 . . . . 74.51 109.511 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD12 HD12 ' A' ' 39' ' ' ILE . 43.2 tp -56.46 -53.9 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.281 -0.872 . . . . 72.22 111.396 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.91 -31.01 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 72.45 111.847 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD11 HH11 ' A' ' 33' ' ' ARG . 8.6 mp -84.04 -2.32 56.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.669 0.248 . . . . 72.11 111.669 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 7.4 t80 -123.42 -58.91 1.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 72.01 111.469 -173.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.617 HD13 ' HG ' ' A' ' 75' ' ' LEU . 64.5 mt -94.4 -31.8 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.949 -0.569 . . . . 65.24 111.796 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -122.54 54.78 6.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.908 -0.317 . . . . 74.22 111.077 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.84 -58.46 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.437 1.424 . . . . 72.12 112.808 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.33 -15.85 14.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.816 0.341 . . . . 75.51 111.405 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 56' ' ' LEU . 45.8 pt -87.43 2.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.422 -0.354 . . . . 75.21 111.169 -175.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.03 -1.46 63.11 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.886 -0.673 . . . . 73.12 111.616 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 t -88.69 -2.38 58.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.422 . . . . 65.03 110.265 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 m -103.81 124.6 49.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 53.01 110.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.81 167.13 12.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.195 -0.457 . . . . 70.24 110.245 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -59.55 -37.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.192 0.441 . . . . 72.01 112.192 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 72.1 mtm180 -74.66 -35.05 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.757 0.313 . . . . 61.52 111.017 -177.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 78.75 1.41 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.699 ' HB3' ' HG3' ' A' ' 96' ' ' PRO . 31.7 tp -102.27 161.41 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 74.42 109.952 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.4 mmtp -100.79 174.64 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 75.42 112.07 -173.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.2 p -97.23 -161.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.955 -1.02 . . . . 62.11 111.764 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 m -59.12 -0.59 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.898 1.073 . . . . 62.14 113.898 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -63.46 -31.69 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.064 0.459 . . . . 74.45 109.836 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 60' ' ' ILE . 4.1 pp -76.46 -15.51 59.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 71.42 111.685 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.29 -33.24 75.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.64 0.257 . . . . 74.21 111.193 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.55 44.11 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.99 0.737 . . . . 71.21 112.99 -175.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.3 -31.38 43.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.828 1.686 . . . . 72.02 112.938 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 mp -73.97 -24.3 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.304 0.573 . . . . 70.03 109.828 177.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -67.19 -26.18 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 62.13 110.064 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.75 -33.72 64.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.323 -0.853 . . . . 73.21 110.698 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -65.26 -46.29 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.07 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 45.3 t0 -62.6 -37.48 86.42 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.522 -0.763 . . . . 74.13 110.191 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 m -56.65 -39.78 74.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 64.12 110.81 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 m -73.87 -38.81 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.099 0.476 . . . . 73.52 109.866 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 64' ' ' ASP . . . 152.75 -142.71 9.54 Favored Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.336 -1.106 . . . . 33.03 110.336 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 52.86 42.19 31.95 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.113 0.482 . . . . 73.44 111.151 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -17.76 54.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.53 -0.759 . . . . 74.53 111.556 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 14.3 t70 -76.02 -42.59 47.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 62.41 109.905 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.5 t -68.0 -50.6 57.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.417 -0.81 . . . . 62.41 111.254 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.34 -51.3 68.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.055 0.455 . . . . 54.33 110.942 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 30.8 tp60 -60.65 -44.83 95.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.492 -0.777 . . . . 73.53 110.397 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 17.2 tpt180 -55.33 -45.94 76.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.409 -0.814 . . . . 71.14 111.393 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.617 ' HG ' HD13 ' A' ' 39' ' ' ILE . 4.1 mm? -69.05 -41.6 77.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 51.33 111.664 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 19.8 pt20 -67.84 -37.64 82.16 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.609 -0.437 . . . . 70.02 110.472 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.87 -40.37 92.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.773 -0.649 . . . . 71.33 110.05 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.49 ' HD3' HD13 ' A' ' 75' ' ' LEU . 60.3 mtp180 -56.45 -44.14 80.2 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.847 177.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 83' ' ' MET . 53.5 t -57.94 -52.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.386 . . . . 62.34 110.795 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 p -61.74 -33.56 74.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.367 . . . . 74.4 111.733 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.31 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.973 0.416 . . . . 22.43 110.558 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.6 mt -63.79 -35.35 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 75.34 111.019 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 87' ' ' VAL . 20.7 mmt -58.41 -32.94 69.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.806 0.336 . . . . 41.34 111.01 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.35 -45.99 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.251 0.548 . . . . 70.45 110.262 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -69.07 -29.93 68.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 75.51 110.862 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.37 69.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 43.45 110.729 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 83' ' ' MET . 61.0 t -75.77 -46.62 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.098 0.475 . . . . 53.54 109.79 174.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.44 -43.27 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 64.21 111.156 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.494 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -91.09 6.07 46.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.298 -0.41 . . . . 74.31 111.083 -175.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.5 t70 58.31 67.26 0.96 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.477 0.656 . . . . 63.35 111.891 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 89' ' ' ASN . 51.5 m-85 -111.68 -46.82 3.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.793 -0.64 . . . . 72.32 111.35 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 pt -102.18 163.52 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.585 0.587 . . . . 72.12 112.585 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -104.57 -41.83 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.988 -1.005 . . . . 73.01 109.785 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -122.2 169.02 11.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.491 -0.777 . . . . 65.01 109.311 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -108.35 89.82 6.33 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 123.31 0.381 . . . . 71.35 110.611 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.699 ' HG3' ' HB3' ' A' ' 51' ' ' LEU . 43.7 Cg_endo -66.25 -172.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.951 2.434 . . . . 62.4 112.293 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.593 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . 59.56 30.63 20.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.566 0.698 . . . . 72.12 110.246 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -66.69 127.09 31.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.449 -0.796 . . . . 65.32 110.972 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t70 62.22 24.31 14.46 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.482 -0.781 . . . . 74.52 111.703 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.593 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.6 ppp? -75.68 -23.6 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.919 0.39 . . . . 75.22 110.749 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 74.13 110.585 179.641 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.399 0.143 . . . . 75.01 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m 55.85 94.75 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.606 0.566 . . . . 61.13 111.735 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.87 -39.59 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.895 -0.593 . . . . 75.0 110.794 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.51 -42.7 92.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.689 -0.687 . . . . 74.32 111.24 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -63.32 -40.44 97.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.93 0.395 . . . . 73.25 111.242 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 48' ' ' ILE . 61.3 mt -71.55 -32.37 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 72.31 110.646 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.07 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.289 0.566 . . . . 74.13 110.742 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 28.9 ttt-85 -70.86 -26.43 63.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.399 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -55.12 -52.37 63.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.822 -0.626 . . . . 73.14 111.846 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.9 p-90 -78.75 -24.67 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.633 -0.427 . . . . 72.12 110.812 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 2.5 t-80 -51.11 -28.56 10.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.201 0.6 . . . . 70.34 111.984 174.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.01 -27.31 68.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.815 0.672 . . . . 63.53 112.815 -174.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 p -92.46 21.6 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.387 0.514 . . . . 70.24 112.387 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -82.83 177.08 8.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.859 0.361 . . . . 61.13 110.908 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' HG3' ' A' ' 22' ' ' ARG . 15.4 ptpt -56.92 -56.34 22.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.691 0.626 . . . . 75.34 112.691 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' A' ' 22' ' ' ARG . 4.8 ppt_? -154.75 129.35 9.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.279 0.561 . . . . 72.33 110.572 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -72.28 97.96 2.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 75.22 111.496 -172.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 p -101.57 38.89 1.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.63 -0.714 . . . . 62.11 110.098 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 3.5 tp10 -58.88 -29.83 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 62.34 111.723 -172.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.06 -51.63 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 64.13 110.502 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -75.48 -28.21 59.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.774 -0.648 . . . . 72.45 110.687 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -65.33 -24.31 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 74.45 111.298 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -60.61 -38.25 84.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 75.35 110.129 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 30' ' ' ARG . 14.6 mmt180 -68.39 -34.73 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.517 0.675 . . . . 75.51 109.996 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.56 -21.68 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.987 -1.006 . . . . 64.25 111.015 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.99 -34.05 67.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.574 -0.285 . . . . 70.44 111.282 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.9 -43.4 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 74.04 110.307 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' O ' ' HD1' ' A' ' 38' ' ' TYR . 68.4 t80 -75.47 -45.75 36.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.208 -0.906 . . . . 74.33 109.867 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' HG22 ' A' ' 39' ' ' ILE . 10.2 tt -53.75 -48.75 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.498 -0.773 . . . . 75.14 111.659 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.39 -47.65 66.1 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.235 0.458 . . . . 65.02 112.235 -174.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.84 -2.63 55.21 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.175 0.435 . . . . 55.53 112.175 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' HD1' ' O ' ' A' ' 34' ' ' TYR . 72.4 m-85 -120.11 5.45 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 74.32 111.315 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 35' ' ' LEU . 7.7 tp -112.69 -43.59 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.638 -0.255 . . . . 75.11 111.014 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.618 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 1.1 p90 -147.43 71.07 11.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.553 . . . . 74.42 111.77 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -73.25 -55.14 0.1 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.595 2.197 . . . . 62.55 112.506 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -95.97 -40.62 9.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 73.52 110.872 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 43' ' ' ILE . 2.5 pp -92.9 12.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.001 -0.545 . . . . 72.45 112.14 -173.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.618 ' CA ' ' HB2' ' A' ' 40' ' ' PHE . . . -71.87 -17.39 76.85 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.782 -0.723 . . . . 73.45 112.969 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -90.47 15.33 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.105 0.479 . . . . 75.25 111.186 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 m -99.22 158.53 15.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 53.25 110.59 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -88.65 137.83 31.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.402 -0.592 . . . . 74.1 109.402 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 12' ' ' ILE . 15.9 tt -62.37 -22.03 28.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 112.196 0.443 . . . . 74.31 112.196 -174.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.988 ' HA ' HG22 ' A' ' 92' ' ' ILE . 37.2 ttt180 -75.96 -6.24 50.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.003 0.43 . . . . 74.32 110.416 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -127.76 74.27 1.52 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.758 0.79 . . . . 74.55 110.566 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.86 158.88 16.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 61.3 109.927 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -128.68 177.39 7.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.913 0.387 . . . . 74.05 111.466 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -66.62 -160.34 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.393 -0.821 . . . . 73.45 111.765 179.286 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.57 ' H ' HG22 ' A' ' 53' ' ' THR . 4.0 m -56.57 5.72 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.481 1.289 . . . . 74.53 114.481 -173.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -62.26 -28.54 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.17 -0.678 . . . . 73.42 109.17 172.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.722 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -63.91 -15.4 58.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.855 -1.066 . . . . 72.41 111.326 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.75 -18.74 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.987 0.366 . . . . 71.22 111.987 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.39 -56.0 36.47 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.57 0.582 . . . . 72.32 112.57 -177.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 50.2 Cg_exo -56.59 -37.39 97.64 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.109 1.872 . . . . 75.13 112.834 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.837 HG23 ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp -64.91 -25.53 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 70.25 110.269 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.654 ' HD3' ' OD1' ' A' ' 64' ' ' ASP . 17.7 mmtt -68.14 -24.66 65.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 73.23 111.531 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.92 -49.17 68.94 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.698 -0.853 . . . . 71.21 108.698 173.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.7 t -68.11 -46.23 81.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.505 -0.771 . . . . 72.11 112.062 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.654 ' OD1' ' HD3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -66.45 -40.8 89.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.644 0.259 . . . . 75.1 110.645 -175.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -78.3 -17.58 56.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.631 . . . . 50.5 110.571 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -72.31 -20.31 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 72.41 109.585 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.89 -22.31 4.86 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.694 -0.685 . . . . 44.21 112.172 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 5.2 mtmt -91.93 48.95 1.48 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.145 0.497 . . . . 62.24 110.969 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 1.9 p-80 -65.79 -29.77 70.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 64.31 111.666 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.63 -38.43 67.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.299 0.571 . . . . 75.13 109.85 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 47.3 t -67.95 -49.5 67.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 53.42 110.354 177.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.837 ' HB1' HG23 ' A' ' 60' ' ' ILE . . . -57.73 -36.41 72.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 72.03 111.324 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -57.25 -47.01 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.31 0.576 . . . . 73.4 110.241 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.21 -39.82 76.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.998 -1.001 . . . . 73.31 112.365 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.3 mm? -60.16 -37.27 79.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.632 0.253 . . . . 75.23 111.302 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -63.44 -43.66 96.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.872 0.844 . . . . 60.42 109.9 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.28 -30.05 70.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.403 -1.272 . . . . 75.11 111.18 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.36 -39.11 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.45 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.4 p -68.66 -34.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 121.058 -0.257 . . . . 41.1 111.531 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -65.18 -30.67 71.59 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.024 0.44 . . . . 74.31 110.374 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.7 77.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.307 -0.406 . . . . 72.44 110.114 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.793 HG12 ' HE1' ' A' ' 16' ' ' TRP . 62.6 mt -61.21 -44.65 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 72.22 110.281 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.549 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.9 mmt -60.74 -44.22 96.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 71.53 110.251 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -52.1 -49.53 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.84 -0.618 . . . . 72.52 111.439 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -68.0 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 74.14 111.361 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.54 69.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.523 -0.308 . . . . 41.11 110.962 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 83' ' ' MET . 80.7 t -66.72 -36.86 78.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.355 . . . . 55.34 110.642 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.32 -35.41 65.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 72.23 111.722 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -93.25 2.22 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.416 -0.356 . . . . 71.1 111.825 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 60.56 22.84 12.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.846 0.458 . . . . 64.34 110.452 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.434 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 58.0 t80 -71.42 -40.82 70.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 65.11 111.203 -172.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.988 HG22 ' HA ' ' A' ' 49' ' ' ARG . 7.7 pt -92.49 -87.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.423 0.527 . . . . 75.25 112.423 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.85 ' H ' HG13 ' A' ' 92' ' ' ILE . 15.0 t70 174.58 -77.41 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.087 0.47 . . . . 74.22 109.797 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 5.4 p -98.49 -176.49 3.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.745 -0.661 . . . . 63.25 109.927 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.97 87.58 19.2 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.993 0.425 . . . . 74.4 110.275 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.6 Cg_exo -75.79 -175.54 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.007 2.471 . . . . 60.42 112.283 -177.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.87 11.14 3.09 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.142 -0.935 . . . . 54.44 112.109 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 p -76.7 -57.56 3.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 72.42 111.377 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.93 11.34 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.738 0.78 . . . . 53.25 109.891 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt -82.89 88.76 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.588 -0.733 . . . . 73.02 110.183 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.383 -0.826 . . . . 51.33 110.519 178.08 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 70.14 112.063 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 m -72.87 160.32 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 75.44 110.455 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.8 ' HA ' ' HB ' ' A' ' 48' ' ' ILE . 77.7 t80 -52.72 -46.43 67.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.395 0.517 . . . . 75.13 112.395 -175.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.65 -33.23 70.74 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.64 -0.254 . . . . 73.51 111.288 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -54.93 -47.0 75.01 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.409 0.522 . . . . 71.14 112.409 -173.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.612 ' HB ' HD13 ' A' ' 48' ' ' ILE . 42.5 mt -75.34 -32.71 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 53.32 110.666 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.721 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -67.25 -30.36 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.255 0.55 . . . . 62.12 110.37 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.96 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 32.7 ttt-85 -57.43 -28.57 63.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.396 -0.82 . . . . 74.4 111.827 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 85' ' ' TYR . 11.0 tp10 -54.41 -55.7 26.08 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.909 -0.587 . . . . 71.21 110.771 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.913 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 61.0 p-90 -79.6 -28.08 41.06 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 74.42 110.263 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.96 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 1.2 t-160 -50.21 -44.0 52.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.339 0.655 . . . . 73.3 110.911 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.12 -19.72 64.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.849 0.356 . . . . 73.41 111.53 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -112.55 17.41 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.894 0.378 . . . . 75.21 110.949 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.14 -42.94 59.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 70.34 110.73 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' HG3' ' H ' ' A' ' 22' ' ' ARG . 18.2 ptmt -144.38 -64.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.361 . . . . 62.4 111.344 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' H ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 ttp-105 -162.88 153.37 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 71.33 109.57 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -77.1 132.46 38.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.403 0.621 . . . . 71.4 111.768 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t -179.42 42.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.238 -1.393 . . . . 74.31 107.238 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG3' HH21 ' A' ' 14' ' ' ARG . 5.8 mm-40 -57.86 -23.88 55.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.329 1.603 . . . . 54.22 115.329 -164.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.16 -30.14 15.84 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.335 0.516 . . . . 73.32 111.452 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' HD2' HG21 ' A' ' 31' ' ' VAL . 30.5 p-80 -59.27 -27.64 66.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.378 -0.374 . . . . 75.5 111.955 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 2.0 ptm180 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.778 0.288 . . . . 74.51 111.778 -173.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -73.71 -31.81 63.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.286 0.565 . . . . 41.11 110.444 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.93 -40.69 46.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.624 -0.716 . . . . 75.21 110.199 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG21 ' HD2' ' A' ' 27' ' ' HIS . 61.1 t -70.09 -15.51 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 64.31 111.259 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD23 HD12 ' A' ' 35' ' ' LEU . 57.9 mt -50.57 -36.07 32.97 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.19 0.441 . . . . 72.34 112.19 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -30.39 70.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.946 0.403 . . . . 63.24 110.985 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.19 -41.6 22.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 53.55 109.798 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.717 HD12 HD23 ' A' ' 32' ' ' LEU . 98.4 mt -60.54 -46.68 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 65.25 111.259 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 50.3 mt-10 -55.46 -35.07 65.1 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.332 0.493 . . . . 72.21 112.332 -177.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.83 -45.51 7.28 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.606 0.595 . . . . 74.02 112.606 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -92.22 -19.18 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.977 0.418 . . . . 72.3 111.29 -172.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.619 HG22 ' CD2' ' A' ' 40' ' ' PHE . 26.4 mm -118.63 119.22 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.823 -0.806 . . . . 51.31 108.823 -175.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.871 ' HB2' HG13 ' A' ' 43' ' ' ILE . 16.0 p90 44.65 60.96 12.09 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.883 -1.053 . . . . 62.43 112.11 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.27 -47.89 11.09 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.982 2.455 . . . . 52.44 114.149 -172.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -100.19 -6.37 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 73.33 111.004 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.871 HG13 ' HB2' ' A' ' 40' ' ' PHE . 12.3 pt -114.26 15.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.115 -174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . -63.26 -6.62 14.85 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 116.014 -0.539 . . . . 62.33 114.211 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -91.01 -1.19 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.348 0.574 . . . . 72.04 110.578 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.8 m -92.46 120.39 32.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.026 0.441 . . . . 72.4 110.709 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.546 ' HB2' ' HE ' ' A' ' 49' ' ' ARG . 13.3 m-20 -85.08 164.35 18.26 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.528 -0.545 . . . . 70.15 109.528 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.8 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 16.4 tt -73.11 -20.1 18.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.549 . . . . 75.34 110.293 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HE ' ' HB2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -76.68 -9.35 58.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 63.32 110.565 176.232 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -143.06 70.08 1.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.509 0.671 . . . . 71.22 109.682 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 52' ' ' LYS . 5.3 tt -82.51 143.89 30.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.416 -0.811 . . . . 73.14 109.538 -178.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 51' ' ' LEU . 97.0 mttt -106.88 176.68 5.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.188 -0.46 . . . . 65.0 111.829 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.777 HG22 ' H ' ' A' ' 54' ' ' SER . 1.7 m -82.32 -163.57 0.7 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.999 -0.546 . . . . 70.22 110.504 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.777 ' H ' HG22 ' A' ' 53' ' ' THR . 2.7 p -64.03 4.79 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.299 1.222 . . . . 75.01 114.299 -171.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.22 -28.7 62.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.316 0.579 . . . . 61.52 109.454 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.761 ' HB2' HD13 ' A' ' 43' ' ' ILE . 3.7 pp -70.74 -16.26 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.385 -0.825 . . . . 74.12 111.248 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 56' ' ' LEU . 61.8 tp -80.53 -20.89 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.677 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.57 -51.43 81.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.081 -0.509 . . . . 71.32 112.269 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 34.4 Cg_exo -60.34 -28.39 86.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.936 1.757 . . . . 72.24 112.951 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.533 ' O ' HG12 ' A' ' 63' ' ' VAL . 45.4 mm -72.34 -23.72 21.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.441 0.639 . . . . 71.2 110.144 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 12.1 mmtt -62.83 -24.79 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.591 -0.731 . . . . 65.33 111.192 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.68 -44.75 73.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.918 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.8 p -77.01 -30.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 61.24 110.557 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.8 t70 -60.99 -49.02 79.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 73.25 109.955 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -74.09 -16.81 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 73.22 110.963 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 t -82.1 8.26 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 72.33 110.585 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . 97.98 5.69 57.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.806 -0.711 . . . . 72.23 112.853 174.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.72 ' HB3' HG12 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -120.8 69.04 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.274 0.559 . . . . 65.04 110.389 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -73.96 -23.98 59.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.731 -0.668 . . . . 74.14 110.993 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 5.5 m-20 -69.9 -50.9 37.78 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.57 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.72 HG12 ' HB3' ' A' ' 68' ' ' LYS . 11.7 p -62.85 -33.71 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 54.03 110.686 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.72 85.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.399 . . . . 64.22 110.689 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.523 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 3.4 mm100 -72.08 -45.33 61.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.987 -0.551 . . . . 55.24 110.528 176.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 15.0 mmt180 -57.45 -36.02 70.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.901 -0.59 . . . . 72.22 111.156 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.7 mt -67.03 -55.39 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.545 -0.298 . . . . 71.34 110.854 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 11.0 pt20 -63.84 -43.95 94.65 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.993 0.368 . . . . 72.14 111.993 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -68.62 -33.61 74.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.897 0.332 . . . . 71.41 111.897 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 82' ' ' ILE . 85.0 mtm180 -71.21 -21.51 62.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.841 -0.344 . . . . 74.24 111.058 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 75' ' ' LEU . 99.4 t -61.22 -33.2 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.533 -0.303 . . . . 35.52 110.602 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 53.0 p -64.06 -38.17 90.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.661 -0.245 . . . . 52.15 110.718 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.75 76.32 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.135 0.493 . . . . 54.3 110.228 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.913 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 76.9 mt -58.96 -51.21 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.341 176.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.574 ' HE2' ' O ' ' A' ' 94' ' ' SER . 21.0 ttt -71.04 -27.01 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.939 -1.028 . . . . 74.34 111.288 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -58.34 -41.15 84.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 64.24 110.845 -175.305 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CZ ' ' HG2' ' A' ' 15' ' ' GLU . 59.0 t80 -64.59 -33.3 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.418 . . . . 72.24 110.684 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -73.34 -39.32 65.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.227 0.537 . . . . 74.04 110.491 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.5 -38.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 45.12 110.357 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.7 -40.52 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.982 -0.554 . . . . 74.12 110.717 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -85.97 5.25 34.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.378 . . . . 61.42 110.882 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.23 35.93 25.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.292 -0.867 . . . . 73.11 111.789 174.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 47.5 m-85 -64.54 -35.27 80.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 72.41 110.775 177.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.92 -34.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.25 0.463 . . . . 63.41 112.25 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.13 50.91 12.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.866 0.841 . . . . 74.11 110.709 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.574 ' O ' ' HE2' ' A' ' 83' ' ' MET . 40.2 m -153.79 149.34 27.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.311 -0.859 . . . . 71.21 109.7 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.6 85.79 16.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.614 0.245 . . . . 73.55 111.528 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HD2' ' HE1' ' A' ' 83' ' ' MET . 4.3 Cg_exo -80.66 -9.84 13.27 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.94 2.427 . . . . 73.13 111.906 173.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HA ' ' CG ' ' A' ' 100' ' ' MET . . . -98.44 22.6 9.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 72.1 110.471 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 t -86.15 -51.57 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 62.44 110.748 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.9 -31.9 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.649 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.733 ' HB3' ' HB3' ' A' ' 54' ' ' SER . 4.3 ppp? -66.34 -27.02 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 74.54 111.704 -176.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.913 0.387 . . . . 64.44 110.251 178.374 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 p90 . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 109.398 -0.593 . . . . 74.14 109.398 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.51 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 6.5 m -47.94 132.13 15.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.873 -1.058 . . . . 61.23 112.411 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -55.7 -37.94 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.519 -0.764 . . . . 72.14 111.207 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.496 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -65.48 -44.96 85.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 73.24 110.237 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.51 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 4.9 m -59.87 -43.89 94.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 42.34 110.49 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.84 -38.23 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 74.41 110.788 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -63.38 -29.13 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 65.35 111.206 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -74.22 -37.1 63.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 75.03 110.898 177.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -55.25 -57.25 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.41 111.813 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 59.3 p-90 -75.28 -28.54 59.8 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.767 -0.373 . . . . 63.43 111.062 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -67.95 -41.94 81.72 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.639 0.237 . . . . 65.33 111.639 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.46 -3.84 9.63 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.935 0.346 . . . . 64.52 111.935 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -62.01 -26.18 68.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -122.89 103.96 8.95 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.396 -0.82 . . . . 72.12 109.809 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 tptt 72.62 110.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.919 0.762 . . . . 72.12 111.252 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -151.3 -37.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.697 -0.401 . . . . 70.22 111.711 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -63.91 -20.95 66.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.393 0.516 . . . . 61.42 112.393 -172.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -81.99 71.19 9.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.994 -0.743 . . . . 62.53 108.994 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.25 -25.19 68.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.799 -1.092 . . . . 70.42 111.922 -173.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.88 -42.83 62.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 60.12 110.455 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -75.88 -26.0 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 71.54 111.418 -177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HG22 ' A' ' 31' ' ' VAL . 25.8 ttt85 -51.73 -36.69 47.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.159 0.429 . . . . 54.44 112.159 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m -61.14 -39.9 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.336 0.588 . . . . 72.34 110.664 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -80.78 -34.5 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.8 -0.636 . . . . 73.53 110.961 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 28' ' ' ARG . 17.2 m -74.21 -15.57 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 72.4 110.273 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.45 -54.18 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.361 -0.607 . . . . 73.35 109.361 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -71.4 -31.17 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.013 0.435 . . . . 74.24 110.4 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HB3' ' HA ' ' A' ' 31' ' ' VAL . 26.1 t80 -61.11 -29.34 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.502 0.668 . . . . 74.42 110.143 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.616 HD22 ' HB ' ' A' ' 39' ' ' ILE . 3.3 tm? -60.02 -47.47 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.043 -0.98 . . . . 74.34 110.579 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 42.7 mt-10 -75.63 -29.99 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.869 -176.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.08 -18.6 36.39 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.536 0.569 . . . . 44.12 112.536 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -126.8 -59.23 1.28 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.466 0.543 . . . . 62.22 112.466 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.616 ' HB ' HD22 ' A' ' 35' ' ' LEU . 38.4 mm -67.95 -53.94 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.503 -0.317 . . . . 72.43 111.638 -170.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HD2' HD11 ' A' ' 35' ' ' LEU . 43.6 m-85 -124.43 74.9 61.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 120.87 -0.332 . . . . 65.41 110.45 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 43.6 Cg_endo -72.2 -55.46 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.104 1.869 . . . . 72.43 112.688 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -104.53 -15.47 15.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.871 0.323 . . . . 74.14 111.871 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -104.36 12.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.823 0.305 . . . . 74.04 111.823 -174.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.14 7.46 44.54 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.909 -0.663 . . . . 34.51 112.806 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -99.99 -3.24 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.84 0.352 . . . . 74.13 110.813 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -91.18 132.79 35.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.042 0.448 . . . . 71.33 111.37 -176.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -79.74 152.52 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.755 -0.831 . . . . 71.03 108.755 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.83 -29.05 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.782 0.325 . . . . 61.54 111.551 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 5.4 ppt_? -83.75 2.37 38.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.815 0.341 . . . . 70.54 111.194 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -141.02 74.27 1.45 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.703 0.763 . . . . 65.32 110.425 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.78 161.81 13.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.05 -0.977 . . . . 71.3 109.964 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.9 161.05 16.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.351 -0.386 . . . . 75.42 110.45 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -163.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 61.4 109.927 174.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.541 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 4.3 m -48.83 -14.7 0.07 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.303 0.853 . . . . 72.22 113.303 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.59 -30.78 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.551 0.215 . . . . 64.52 111.065 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD21 ' HE3' ' A' ' 100' ' ' MET . 1.1 pt? -69.73 -15.96 63.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 71.32 110.647 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -77.37 -17.49 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 72.45 110.612 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -61.55 -50.61 81.8 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.564 -0.289 . . . . 73.11 111.525 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 31.9 Cg_exo -63.46 -33.59 68.34 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.846 1.697 . . . . 72.31 112.762 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.35 -23.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 75.04 110.69 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -63.86 -24.05 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 60.43 111.26 -173.738 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -55.86 -32.27 63.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.343 -0.614 . . . . 64.44 109.343 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.21 -33.49 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.753 -0.658 . . . . 72.31 111.637 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.526 ' HB2' ' CB ' ' A' ' 69' ' ' HIS . 1.7 p30 -66.41 -34.96 79.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.066 -0.653 . . . . 61.31 110.394 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -82.04 -34.27 29.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.658 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.1 m -99.48 -41.29 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.293 0.479 . . . . 75.45 112.293 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.499 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . -114.99 43.31 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.961 -0.638 . . . . 75.32 112.868 -174.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HE3' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER 66.77 110.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.71 0.767 . . . . 71.24 112.534 176.457 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . 15.7 p80 -62.61 -24.71 67.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 64.35 110.472 176.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.2 -45.57 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.998 -0.546 . . . . 75.13 110.127 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.82 -45.83 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 50.31 110.371 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.98 89.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.824 -0.626 . . . . 54.4 111.978 -176.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.0 mm-40 -64.73 -49.06 72.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.814 0.34 . . . . 74.43 110.67 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.92 -31.47 70.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.174 0.511 . . . . 61.21 110.239 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 39' ' ' ILE . 5.1 tt -70.24 -51.83 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.663 -0.699 . . . . 73.32 110.505 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' HG3' ' HA ' ' A' ' 73' ' ' GLN . 4.0 pp0? -65.21 -34.25 77.93 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.761 0.282 . . . . 71.32 111.761 -176.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.06 -27.04 65.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.177 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -26.01 61.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 71.15 110.678 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.0 -32.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.514 -0.551 . . . . 74.33 109.514 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 97' ' ' ALA . 40.7 m -61.68 -32.77 72.98 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.56 -0.746 . . . . 71.45 110.419 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.38 62.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.608 . . . . 71.24 110.573 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.442 HG12 ' NE1' ' A' ' 16' ' ' TRP . 50.9 mt -63.76 -41.04 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 62.13 110.154 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -62.65 -34.53 77.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.642 . . . . 74.33 111.135 179.047 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.67 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.256 -0.646 . . . . 74.11 109.256 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.35 -41.82 98.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.649 . . . . 74.3 110.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.655 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -62.88 -36.08 82.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 51.41 111.905 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 83' ' ' MET . 72.7 t -72.1 -44.95 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.571 0.224 . . . . 75.41 110.923 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -66.43 -34.92 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 64.31 111.059 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -89.37 10.56 22.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.448 -0.342 . . . . 74.02 110.724 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.97 59.1 4.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.478 -0.783 . . . . 61.51 112.795 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.655 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 48.6 m-85 -99.12 -42.35 7.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.029 -0.532 . . . . 71.44 109.657 171.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.9 pt -121.86 152.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 72.32 111.071 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.04 -29.5 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.316 0.579 . . . . 43.13 110.105 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.655 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 39.2 m -96.61 146.27 24.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.438 -0.801 . . . . 61.03 109.886 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.04 86.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.528 -0.305 . . . . 73.01 110.297 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.655 ' HD3' ' O ' ' A' ' 94' ' ' SER . 20.8 Cg_exo -65.27 -52.53 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.61 2.207 . . . . 73.21 111.725 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 80' ' ' THR . . . -85.26 67.65 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.989 -0.551 . . . . 71.44 110.275 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.7 t -98.12 -66.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.076 -0.712 . . . . 73.15 109.076 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -126.31 86.1 2.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.839 -0.801 . . . . 74.41 108.839 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.654 ' HE3' HD21 ' A' ' 56' ' ' LEU . 22.0 ptm -100.47 19.79 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.366 -0.833 . . . . 73.4 111.555 -171.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 120.97 0.414 . . . . 63.35 111.277 -177.402 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 111.947 0.351 . . . . 71.11 111.947 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -94.64 177.7 5.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.767 0.318 . . . . 75.54 111.293 -177.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -34.95 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.052 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -38.5 86.8 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.894 -0.594 . . . . 62.02 109.936 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 m -58.35 -36.1 72.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.91 -0.587 . . . . 74.34 111.149 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.72 -47.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.452 . . . . 74.33 110.571 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.585 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -71.29 -28.88 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 54.33 110.831 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -62.65 -39.66 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 65.31 110.366 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.67 -59.42 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.967 . . . . 75.1 112.213 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.627 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 56.2 p-90 -79.62 -32.48 41.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.428 0.529 . . . . 73.02 112.428 -171.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.19 -34.96 75.71 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.326 -0.55 . . . . 64.24 111.478 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -78.44 -12.13 59.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.979 0.419 . . . . 62.34 110.837 -175.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 p -110.61 14.61 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.269 0.557 . . . . 70.13 110.034 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.401 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 6.0 t-20 -93.87 -153.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.653 -0.703 . . . . 72.52 109.875 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 20' ' ' ASN . 7.0 tmtm? -44.78 -57.69 3.56 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.541 0.736 . . . . 73.24 112.508 -173.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -147.32 143.76 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.343 -0.543 . . . . 74.43 111.705 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -55.81 137.37 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.083 -0.962 . . . . 73.4 110.483 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 m -133.78 16.05 3.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.608 -0.269 . . . . 63.54 110.978 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 8.4 pt-20 -46.42 -41.35 13.62 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.272 0.841 . . . . 65.53 113.272 -172.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 21.3 t70 -72.73 -51.89 17.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 71.21 111.12 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -70.93 -26.28 63.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.752 -0.658 . . . . 72.01 111.404 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -54.06 -34.9 61.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.243 -0.889 . . . . 73.24 111.282 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -60.55 -35.17 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.071 0.462 . . . . 71.31 111.112 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -74.09 -42.2 60.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 72.14 109.876 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 35' ' ' LEU . 47.5 t -64.93 -38.49 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.256 -0.884 . . . . 74.14 110.624 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.16 -50.04 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 64.42 110.222 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 33' ' ' ARG . 17.0 ttt85 -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.016 -0.538 . . . . 71.51 110.217 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.17 -50.35 72.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.724 -0.671 . . . . 73.01 110.812 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.549 HD23 HG12 ' A' ' 31' ' ' VAL . 4.3 pp -73.16 -36.4 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.022 0.378 . . . . 73.55 112.022 -173.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 79.4 mt-10 -71.49 -30.11 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 73.21 111.497 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 33' ' ' ARG . 8.7 mp -78.35 -46.3 20.38 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.178 -0.209 . . . . 64.12 111.515 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.68 -43.54 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.679 0.622 . . . . 64.53 112.679 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.612 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 41.9 mm -91.47 -22.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.676 0.274 . . . . 71.14 111.591 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.581 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 97.3 m-85 -120.35 57.94 5.65 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.487 0.551 . . . . 63.44 112.487 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.612 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 6.1 Cg_exo -79.22 -51.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.238 1.959 . . . . 72.51 111.372 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -103.21 -33.84 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 56' ' ' LEU . 38.5 pt -90.32 13.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.01 0.374 . . . . 72.11 112.01 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.8 -7.04 68.83 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.113 -0.565 . . . . 62.43 112.749 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -99.13 15.0 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.752 0.31 . . . . 73.02 110.732 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.7 m -88.32 135.17 33.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 63.41 111.228 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' OD2' ' HD3' ' A' ' 49' ' ' ARG . 17.3 t70 -88.09 155.82 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.71 -0.677 . . . . 75.15 109.597 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.8 tp -64.61 -21.66 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.975 0.417 . . . . 74.4 111.702 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HA ' ' CG2' ' A' ' 92' ' ' ILE . 7.2 mtp-105 -83.22 -0.6 50.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.574 -0.285 . . . . 70.43 111.64 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -148.91 75.98 1.32 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.745 0.783 . . . . 73.23 110.816 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HB2' ' HG2' ' A' ' 96' ' ' PRO . 2.9 mm? -87.03 161.76 17.99 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.863 -1.062 . . . . 75.24 109.06 172.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.86 ' HB2' HD23 ' A' ' 56' ' ' LEU . 12.6 mptt -115.95 176.05 5.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.291 0.567 . . . . 72.54 111.655 -173.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.7 p -85.4 -163.52 0.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.278 -0.873 . . . . 74.45 111.628 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.424 ' H ' ' HB ' ' A' ' 53' ' ' THR . 3.0 m -54.3 -18.44 4.0 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.977 1.102 . . . . 54.43 113.977 -173.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -65.33 -26.05 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.398 . . . . 73.32 111.142 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.86 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.4 pp -72.75 -16.77 61.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.923 0.392 . . . . 60.41 110.907 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -86.92 -16.93 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 60.33 110.647 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -51.45 -50.52 76.08 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.799 -0.637 . . . . 62.21 112.488 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.0 Cg_exo -58.18 -38.05 92.87 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.869 1.713 . . . . 65.04 112.681 178.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.525 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.7 mp -67.71 -24.09 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.068 0.461 . . . . 73.13 110.93 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 8.6 tmtt? -57.98 -26.1 61.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 73.34 111.555 -174.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.079 0.399 . . . . 71.41 112.079 -176.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.0 p -74.33 -31.75 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 74.32 110.451 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -66.19 -45.12 81.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.825 -0.625 . . . . 51.1 109.743 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 m -68.0 -26.6 65.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 41.31 110.94 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -72.16 -3.91 26.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.786 0.327 . . . . 70.34 111.022 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.09 -14.4 26.12 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.828 -0.701 . . . . 51.45 112.604 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.934 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -95.21 77.41 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.557 0.694 . . . . 75.31 110.635 -177.478 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -72.9 -33.83 66.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.748 -1.114 . . . . 71.43 110.231 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 16.4 t70 -56.51 -53.44 57.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.217 -0.902 . . . . 74.43 111.917 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.12 -34.49 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.474 -0.33 . . . . 44.22 111.739 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -67.07 -50.54 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 65.12 110.079 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.99 -45.89 86.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.32 -0.855 . . . . 73.34 110.836 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 69.8 mtp180 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 64.15 111.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.5 mm? -71.96 -39.2 69.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.978 0.362 . . . . 62.21 111.978 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 15.2 pt20 -67.0 -38.14 85.47 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.61 -0.436 . . . . 74.2 110.658 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 6.3 tp60 -73.07 -20.72 60.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.438 0.637 . . . . 73.44 110.558 175.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.3 tpt180 -72.44 -42.31 65.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 73.31 110.209 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 75' ' ' LEU . 61.3 t -61.94 -43.53 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.804 -0.634 . . . . 75.44 111.193 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.8 p -61.52 -36.25 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 64.52 111.021 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.9 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.948 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.627 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 69.2 mt -66.74 -42.43 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 64.24 110.439 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.522 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -60.21 -35.3 75.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 72.24 110.506 179.466 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -57.27 -41.53 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 71.32 111.114 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.547 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 64.7 m-85 -69.61 -29.94 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 75.52 111.328 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.51 61.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.132 0.491 . . . . 74.22 110.445 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 83' ' ' MET . 58.8 t -86.03 -34.65 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 72.04 111.264 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 85' ' ' TYR . 9.2 pt20 -59.54 -38.9 82.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.884 0.373 . . . . 73.43 111.056 -178.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 83.9 m-20 -88.8 -2.83 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 61.42 110.62 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 57.99 79.2 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.614 0.721 . . . . 72.14 111.266 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' A' ' 89' ' ' ASN . 63.6 m-85 -106.66 -28.87 9.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.721 . . . . 73.11 110.233 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 49' ' ' ARG . 23.5 pt -133.61 144.23 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.705 -0.679 . . . . 73.14 110.32 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -89.75 -12.15 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 73.45 110.168 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 m -87.06 145.21 26.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 74.44 109.6 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -118.82 86.28 30.1 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.927 0.394 . . . . 61.04 110.147 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 51' ' ' LEU . 6.0 Cg_exo -77.47 -164.59 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.754 2.303 . . . . 52.52 111.078 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.762 ' HA ' ' SD ' ' A' ' 100' ' ' MET . . . 57.56 24.19 10.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.038 0.447 . . . . 74.43 111.371 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 m -97.45 143.59 28.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 73.23 110.253 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.38 20.86 11.87 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.924 0.765 . . . . 55.01 110.662 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.762 ' SD ' ' HA ' ' A' ' 97' ' ' ALA . 81.2 mtp -97.43 -44.49 6.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.771 -0.65 . . . . 74.35 109.405 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.597 -0.729 . . . . 64.42 109.921 177.179 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.207 0.527 . . . . 74.41 110.817 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -65.58 153.14 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 33.1 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.636 ' HZ ' HD13 ' A' ' 82' ' ' ILE . 30.2 t80 -51.85 -39.38 58.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.934 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.671 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 6.6 mm-40 -51.91 -40.85 61.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.245 -0.889 . . . . 71.14 112.096 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -57.66 -49.83 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.403 . . . . 73.2 111.551 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.47 HD12 HD13 ' A' ' 48' ' ' ILE . 58.9 mt -75.64 -31.56 23.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 62.53 110.76 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.33 82.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 62.12 111.472 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.671 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 9.5 mpt_? -68.32 -26.35 65.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.393 -0.367 . . . . 74.2 111.706 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.66 -56.2 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.276 0.36 . . . . 74.23 110.677 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.433 ' CZ2' HG12 ' A' ' 82' ' ' ILE . 64.7 p-90 -82.13 -36.42 27.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.244 0.461 . . . . 72.02 112.244 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -63.68 -27.73 69.42 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.109 0.781 . . . . 54.42 113.109 -172.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 57.8 mt-10 -76.18 5.1 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.46 -0.496 . . . . 72.43 111.913 -177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -90.08 6.82 40.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.43 0.633 . . . . 64.22 109.597 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.12 25.15 1.66 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 74.52 110.439 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 70.37 -168.01 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.76 -0.654 . . . . 74.34 112.195 175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 71.35 104.37 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.325 -0.852 . . . . 74.32 110.228 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -68.2 -27.72 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 74.34 112.137 -174.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -76.23 107.39 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.024 -0.361 . . . . 44.23 110.024 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.708 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 mp0 -62.39 -27.44 69.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.547 . . . . 64.14 110.726 -174.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -51.17 -30.54 17.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.487 -0.779 . . . . 42.25 112.795 -170.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -27.28 61.91 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.322 0.489 . . . . 74.03 112.322 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -64.97 -23.5 67.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.677 0.251 . . . . 73.11 111.677 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 38.1 m -77.32 -37.23 52.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.029 0.442 . . . . 51.12 110.693 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -80.26 -38.94 29.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.111 0.411 . . . . 63.53 112.111 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 28' ' ' ARG . 35.0 m -63.18 -16.99 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 121.0 -0.28 . . . . 73.43 111.122 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' OE2' ' A' ' 10' ' ' GLU . 7.4 tt -57.4 -39.76 76.8 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.117 0.484 . . . . 71.15 109.888 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -59.32 -39.94 84.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 73.13 110.409 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -83.27 -38.77 21.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 72.44 110.081 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HG ' ' CG1' ' A' ' 39' ' ' ILE . 10.4 tt -60.29 -35.91 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.856 -0.611 . . . . 64.35 111.072 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -33.31 50.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.895 -0.593 . . . . 73.22 110.9 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.43 -27.04 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 75.1 111.438 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.92 -40.35 47.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.975 -0.557 . . . . 73.25 111.682 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.41 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 49.5 mm -95.89 -35.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.957 0.408 . . . . 65.02 110.588 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -119.8 82.49 27.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.403 -0.362 . . . . 72.24 110.596 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.63 -60.12 0.08 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 121.278 1.318 . . . . 41.25 111.574 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -109.2 -17.54 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.413 . . . . 45.31 111.002 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 56' ' ' LEU . 38.4 pt -88.59 14.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.612 0.597 . . . . 43.33 112.612 -169.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.31 5.45 9.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.889 -0.672 . . . . 42.44 113.316 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 p -106.18 5.92 30.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.076 0.438 . . . . 54.25 111.247 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -97.53 145.01 26.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.004 0.431 . . . . 65.33 110.932 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 149.28 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.57 . . . . 72.11 111.094 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.521 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 13.9 tt -77.52 -23.83 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.389 0.614 . . . . 71.31 110.152 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -78.25 -3.5 43.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 60.34 110.731 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -162.38 82.66 0.54 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.317 -0.624 . . . . 72.35 109.317 172.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.526 ' H ' HG22 ' A' ' 92' ' ' ILE . 14.5 tp -95.28 161.72 13.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.093 -0.503 . . . . 60.43 110.38 -176.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -111.46 174.88 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.001 -0.545 . . . . 74.2 111.966 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.478 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.0 OUTLIER -74.26 -162.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.387 -0.824 . . . . 53.24 112.56 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.478 ' H ' ' HB ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -68.06 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.274 1.212 . . . . 71.23 114.274 -170.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -67.23 -28.69 68.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 72.52 108.709 173.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 3.2 pp -68.18 -14.42 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.843 -1.071 . . . . 73.14 111.886 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.85 -27.9 65.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 -0.242 . . . . 75.42 111.613 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.1 -54.14 53.65 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.138 0.421 . . . . 72.11 112.138 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -61.43 -32.6 88.94 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.062 1.842 . . . . 72.42 112.835 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mm -71.05 -32.03 46.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 72.33 109.951 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.571 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.79 -25.21 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.729 -0.669 . . . . 73.23 110.012 -176.823 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.08 -28.49 62.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.337 -0.847 . . . . 73.41 110.042 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.55 -36.42 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.733 -0.667 . . . . 73.44 111.646 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.94 -36.83 72.76 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.495 -0.482 . . . . 62.14 110.978 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 m -82.28 -44.45 16.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.207 -0.452 . . . . 64.34 112.117 -175.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.7 m -107.14 7.2 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.205 0.446 . . . . 34.41 112.205 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -138.89 4.0 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.783 -0.722 . . . . 53.13 111.777 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HB2' HG12 ' A' ' 71' ' ' VAL . 46.3 mtpt -90.51 113.26 25.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.829 0.347 . . . . 62.13 110.328 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -59.6 -33.31 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.829 -0.623 . . . . 75.43 112.668 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.82 -44.18 42.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.86 0.362 . . . . 61.41 111.27 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.648 HG12 ' HB2' ' A' ' 68' ' ' LYS . 8.4 p -65.41 -32.75 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.715 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.96 90.9 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.594 -0.275 . . . . 53.11 111.274 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -62.42 -44.13 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.404 0.621 . . . . 74.44 110.877 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 38.5 mtp180 -65.22 -32.29 73.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.431 -0.804 . . . . 73.4 110.624 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 3.0 tm? -69.37 -51.48 36.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.053 -0.521 . . . . 73.32 110.76 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 3.4 pt20 -63.88 -39.03 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 74.31 111.471 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -59.83 -28.93 67.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.199 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.559 ' O ' HG13 ' A' ' 82' ' ' ILE . 61.3 mtt180 -61.31 -36.04 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.211 -0.45 . . . . 75.25 111.046 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.62 -41.74 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.111 0.482 . . . . 65.44 110.598 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 m -65.28 -30.45 71.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 73.13 110.648 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 84' ' ' ARG . . . -74.15 -24.73 59.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 53.22 111.081 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.636 HD13 ' HZ ' ' A' ' 9' ' ' PHE . 67.4 mt -75.18 -36.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 73.33 110.6 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.517 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 24.8 mmt -57.72 -39.46 77.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.489 -0.778 . . . . 70.33 112.821 -173.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 16.6 ptm180 -57.64 -39.72 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.542 0.21 . . . . 72.01 111.42 -177.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -77.62 -30.45 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 74.11 110.773 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.79 73.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.955 0.407 . . . . 73.43 110.505 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.603 HG22 HD11 ' A' ' 92' ' ' ILE . 63.3 t -69.92 -14.82 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.902 -0.59 . . . . 74.32 111.547 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 83.9 mm-40 -54.26 -40.53 67.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.853 0.359 . . . . 75.23 110.656 175.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.405 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 72.3 m-20 -105.23 -16.73 14.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.021 -0.733 . . . . 73.12 109.021 171.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.564 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 44.9 t0 57.9 90.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.489 -1.232 . . . . 63.22 112.415 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 89' ' ' ASN . 79.0 m-85 -101.93 -10.41 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 52.14 110.072 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -99.88 -33.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.958 -0.564 . . . . 63.22 111.929 -173.422 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 63.3 26.69 15.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.401 0.619 . . . . 75.12 111.133 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -152.51 -14.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.709 0.633 . . . . 75.55 112.709 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.462 ' OD1' HG21 ' A' ' 87' ' ' VAL . 5.5 t30 47.64 76.6 0.53 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.575 0.35 . . . . 71.41 111.297 -171.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.745 ' HD3' HG13 ' A' ' 92' ' ' ILE . 2.9 Cg_exo -76.51 -171.23 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.795 2.33 . . . . 61.2 112.002 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 64.94 3.18 2.0 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.67 -0.696 . . . . 62.43 111.478 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.6 p -77.31 -64.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.437 -0.579 . . . . 62.01 109.437 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.46 79.58 8.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.614 -0.884 . . . . 71.23 108.614 172.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -155.72 -52.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 71.31 108.963 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 71.41 108.949 174.278 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.868 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 21.6 p90 . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 122.198 0.999 . . . . 70.55 109.387 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -139.56 151.23 45.92 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.859 -1.064 . . . . 73.1 109.871 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -55.11 -42.39 72.88 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.377 0.423 . . . . 62.15 110.24 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.38 -38.6 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.815 -0.629 . . . . 75.14 111.451 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -63.07 -43.63 98.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.139 0.495 . . . . 72.05 110.585 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.96 -43.49 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.657 . . . . 73.11 110.438 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.95 -33.86 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.789 -0.641 . . . . 74.14 110.949 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -34.23 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 72.2 110.752 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.27 -59.02 5.97 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.088 -0.506 . . . . 62.04 111.527 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 50.5 p-90 -79.25 -24.39 43.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.728 -0.389 . . . . 71.54 110.843 -176.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.71 -31.03 69.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.503 -0.317 . . . . 71.41 111.166 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.16 -21.61 63.05 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.649 0.261 . . . . 74.1 111.046 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -60.92 -34.06 74.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.613 -0.267 . . . . 73.41 110.45 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 59.14 -162.12 0.25 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.856 0.687 . . . . 72.12 112.856 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HB3' ' H ' ' A' ' 22' ' ' ARG . 9.6 tptp -145.44 -85.74 0.12 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.497 -0.774 . . . . 75.22 109.399 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 14.3 ttt-85 -106.51 178.89 4.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.25 -1.341 . . . . 72.31 108.784 174.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.404 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 5.5 m-90 -75.62 107.67 7.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.009 0.433 . . . . 75.14 111.434 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.434 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 70.7 m -157.01 33.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.209 -0.663 . . . . 72.32 109.209 175.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 3.6 tp10 -53.37 -49.67 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 74.31 112.696 -170.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.36 -31.05 68.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.114 0.483 . . . . 72.44 110.238 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -75.54 -24.12 56.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.281 -0.872 . . . . 64.31 111.12 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 1.4 mpt_? -49.52 -32.6 12.7 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.024 0.75 . . . . 74.52 113.024 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -61.85 -44.24 97.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 64.53 110.503 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -61.32 -38.69 87.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.057 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.67 -39.09 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.55 -0.75 . . . . 72.11 110.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.76 -40.72 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.956 -0.566 . . . . 71.34 109.682 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.5 mtt180 -65.98 -43.91 86.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.601 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.43 -40.56 87.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 62.34 110.606 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.828 ' HA ' HD13 ' A' ' 39' ' ' ILE . 3.4 tt -61.64 -42.13 98.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.775 -0.648 . . . . 54.32 109.645 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 4.3 tm-20 -65.98 -37.65 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.615 . . . . 74.21 110.371 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 33' ' ' ARG . 92.9 mt -71.71 -48.49 46.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.509 0.559 . . . . 73.22 112.509 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -98.87 -38.4 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.581 . . . . 65.14 112.57 -171.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.828 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.9 mp -83.73 -30.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 72.53 110.259 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.542 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 31.0 m-85 -116.77 56.38 1.57 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.596 174.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.81 -57.14 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.339 1.359 . . . . 73.24 112.661 -169.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -106.18 -22.64 12.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.488 -0.324 . . . . 70.42 111.057 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' HB ' HD11 ' A' ' 56' ' ' LEU . 2.6 pp -107.39 14.65 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.068 0.766 . . . . 74.44 113.068 -167.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -73.04 5.88 16.43 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.004 -0.617 . . . . 71.15 113.208 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 p -82.21 -11.31 58.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 65.51 111.347 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.5 m -92.63 132.55 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.211 0.529 . . . . 61.44 111.885 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.94 165.87 11.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 73.2 109.227 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD23 ' A' ' 51' ' ' LEU . 10.4 tp -60.76 -28.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.709 0.262 . . . . 74.24 111.709 -176.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.868 ' HD3' ' HE2' ' A' ' 7' ' ' TYR . 34.1 ttp180 -70.48 -21.63 62.75 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.011 0.434 . . . . 75.21 110.588 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -133.15 74.7 1.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.419 0.628 . . . . 64.24 109.831 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -97.06 140.17 31.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.405 -0.816 . . . . 74.21 110.053 -176.673 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.23 173.17 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.075 0.464 . . . . 35.33 111.088 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.604 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -92.6 -162.48 0.94 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.718 -0.674 . . . . 55.31 109.836 -178.696 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.604 ' H ' HG22 ' A' ' 53' ' ' THR . 6.2 m -56.96 -7.8 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.992 0.738 . . . . 74.05 112.992 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -67.1 -27.65 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 62.41 109.568 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD11 ' HB ' ' A' ' 43' ' ' ILE . 17.6 tp -66.06 -20.31 66.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.016 -0.993 . . . . 44.32 110.76 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.495 HD12 ' HB ' ' A' ' 60' ' ' ILE . 68.5 tp -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 70.11 111.429 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.634 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -50.43 -52.4 55.4 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.922 0.712 . . . . 72.34 112.922 -176.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.2 Cg_exo -61.82 -38.98 55.58 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.875 1.716 . . . . 73.1 112.969 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.58 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.2 mp -72.39 -24.65 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.159 0.504 . . . . 63.03 110.298 -176.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -68.99 -24.42 64.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 64.31 109.602 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.95 -39.67 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 74.32 111.614 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 60' ' ' ILE . 8.3 p -71.49 -29.06 33.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.683 0.278 . . . . 51.22 110.688 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.54 -49.53 74.96 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.102 0.477 . . . . 63.42 109.793 175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -65.26 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 43.41 110.686 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -62.7 -40.36 96.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.169 -0.468 . . . . 64.33 110.53 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.62 -30.42 0.93 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.083 -1.056 . . . . 55.31 113.481 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.0 mtpt -96.42 82.72 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 61.45 111.282 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -73.8 -30.01 62.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.143 -0.935 . . . . 74.51 110.467 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 21.1 t70 -56.76 -47.68 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 73.32 111.695 -175.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' HD13 ' A' ' 75' ' ' LEU . 52.6 t -59.59 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.456 . . . . 53.5 110.91 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.06 -45.14 79.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.106 -0.497 . . . . 71.14 111.517 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -62.83 -46.65 86.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.055 -0.521 . . . . 64.21 111.268 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -60.28 -32.76 71.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 64.43 111.609 178.77 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 79' ' ' VAL . 6.7 mp -63.72 -47.68 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.736 -0.211 . . . . 72.51 111.193 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -56.28 -43.69 79.09 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.578 0.704 . . . . 75.0 109.977 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.55 -39.74 73.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.186 -1.37 . . . . 73.4 111.112 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.45 ' O ' HG13 ' A' ' 82' ' ' ILE . 64.5 mtt180 -82.46 -23.58 34.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 74.35 111.61 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 75' ' ' LEU . 86.4 t -66.35 -45.97 88.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 62.41 110.386 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 t -69.55 -29.96 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 73.4 110.019 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.26 -31.92 73.2 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.045 -0.525 . . . . 53.33 110.479 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 78' ' ' ARG . 85.7 mt -76.24 -44.78 36.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 41.31 110.359 173.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.657 ' HG3' HD11 ' A' ' 92' ' ' ILE . 47.6 ttm -60.13 -35.94 76.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 74.44 112.404 -175.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.15 -31.24 70.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.415 0.15 . . . . 74.34 111.33 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -69.19 -40.77 77.88 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.086 0.47 . . . . 72.24 110.19 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 73.45 110.505 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.62 -33.6 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.077 -0.511 . . . . 64.14 110.492 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -63.97 -43.68 95.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.733 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -87.11 6.03 34.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.519 -0.31 . . . . 71.33 111.197 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.36 35.85 14.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.485 0.66 . . . . 42.51 110.987 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -76.3 -45.59 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.3 -0.629 . . . . 75.32 109.3 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.657 HD11 ' HG3' ' A' ' 83' ' ' MET . 37.8 pt -130.55 148.82 33.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.521 -0.763 . . . . 71.14 109.952 177.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -112.88 -22.89 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.242 0.544 . . . . 74.11 110.186 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.464 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 18.7 m -92.11 138.25 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 71.15 110.537 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.412 ' HB3' ' OG ' ' A' ' 98' ' ' SER . 16.9 m120 -115.78 85.26 14.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.465 -0.334 . . . . 73.31 110.418 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 94' ' ' SER . 6.1 Cg_exo -79.0 -35.39 0.94 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.797 2.331 . . . . 41.44 112.878 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.07 -2.31 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.34 -0.391 . . . . 24.24 111.741 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.412 ' OG ' ' HB3' ' A' ' 95' ' ' ASN . 50.0 m -74.4 -10.0 59.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.38 . . . . 61.53 111.334 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -100.89 -4.14 28.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.049 0.452 . . . . 62.41 110.57 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.577 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 80.2 mtp -62.57 -39.19 92.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.972 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 64.14 111.039 179.483 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.24 -0.281 . . . . 73.42 110.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.18 -51.03 70.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.43 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -79.07 102.79 8.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.395 . . . . 74.23 109.998 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m -70.21 119.88 15.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 62.24 111.143 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.19 172.68 18.39 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.878 -0.677 . . . . 50.21 112.074 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.16 33.69 14.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.034 0.445 . . . . 62.55 110.96 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -88.91 5.62 43.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.525 0.678 . . . . 71.4 109.788 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 p -74.47 -179.31 3.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.069 -0.968 . . . . 62.3 112.902 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.693 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 t80 -57.74 -25.82 60.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.91 -1.041 . . . . 63.11 111.384 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.36 -54.91 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 62.41 111.774 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.6 m -73.08 -30.69 63.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.883 -0.599 . . . . 73.11 111.79 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.87 -34.31 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.996 0.427 . . . . 74.13 110.441 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB2' HD11 ' A' ' 82' ' ' ILE . . . -67.58 -31.9 72.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.222 0.534 . . . . 74.22 110.732 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.526 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 5.2 tmm_? -72.95 -34.6 66.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 72.2 110.056 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 55.5 mm-40 -56.58 -54.1 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.598 0.592 . . . . 74.13 112.598 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.796 ' HE1' HG12 ' A' ' 82' ' ' ILE . 38.1 p-90 -77.19 -24.99 51.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.34 -0.544 . . . . 75.13 111.073 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 25' ' ' GLU . 45.0 t60 -67.02 -34.03 76.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.48 0.548 . . . . 65.43 112.48 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.83 -10.58 54.1 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.101 0.408 . . . . 72.42 112.101 -172.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 -4.46 56.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.277 0.561 . . . . 74.34 109.831 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 63.07 92.87 0.06 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.733 -1.121 . . . . 64.35 111.345 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 3.0 tmtp? -104.58 -35.15 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.603 -0.726 . . . . 61.03 109.545 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HG2' ' H ' ' A' ' 23' ' ' TRP . 26.7 ttt180 -141.33 169.0 18.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.458 -0.571 . . . . 72.34 109.458 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.434 ' HE3' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -102.07 -172.13 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.426 0.454 . . . . 73.24 111.645 -172.365 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.434 ' HB2' ' HE3' ' A' ' 23' ' ' TRP . 12.6 t 71.95 22.88 3.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.485 -0.78 . . . . 74.23 110.731 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' A' ' 17' ' ' HIS . 10.4 pt-20 -69.45 -27.23 65.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.658 . . . . 73.12 111.519 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.9 -39.27 77.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.943 -0.571 . . . . 60.14 111.19 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.7 t-80 -76.13 -28.49 57.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 74.53 111.04 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 7.5 mmt180 -62.7 -23.6 67.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.422 -0.808 . . . . 73.02 112.245 -171.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -55.06 -47.63 74.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.721 0.296 . . . . 64.12 110.726 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -82.57 -42.08 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 70.52 110.855 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' HIS . 61.1 t -57.92 -22.25 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 115.875 -0.602 . . . . 73.21 111.775 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -50.56 -41.82 54.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 42.2 111.429 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.07 -48.78 79.1 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 74.4 111.298 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.99 -36.75 80.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 43.3 110.424 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.548 ' O ' HG22 ' A' ' 39' ' ' ILE . 1.9 tm? -67.12 -58.14 5.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.735 -0.666 . . . . 63.54 110.549 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 11.0 mm-40 -53.81 -39.54 65.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.94 0.4 . . . . 74.12 111.637 -175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.11 -38.91 89.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.069 -0.514 . . . . 73.15 111.578 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.67 -22.06 18.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 74.23 112.493 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 75' ' ' LEU . 8.2 tp -82.66 -30.72 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.466 -0.494 . . . . 54.32 110.28 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.425 ' CD2' HG23 ' A' ' 39' ' ' ILE . 8.6 m-85 -122.33 71.07 34.69 Favored Pre-proline 0 C--N 1.331 -0.209 0 N-CA-C 109.771 -0.455 . . . . 65.52 109.771 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.1 Cg_endo -81.6 -55.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.624 2.216 . . . . 60.41 112.231 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -101.91 -2.44 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.027 -0.533 . . . . 73.02 109.907 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.572 HG21 ' HB2' ' A' ' 56' ' ' LEU . 37.1 pt -121.68 13.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.713 -0.676 . . . . 71.43 111.328 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.93 10.99 30.16 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.659 -0.781 . . . . 74.44 112.539 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -107.61 9.85 29.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.787 0.327 . . . . 65.14 111.186 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -116.67 157.29 25.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.809 0.338 . . . . 55.31 111.188 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.79 161.39 16.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 72.25 110.238 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 9' ' ' PHE . 9.4 tt -63.75 -26.66 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 74.42 111.158 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -87.12 7.69 26.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.39 -0.368 . . . . 73.01 111.117 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -141.3 71.91 1.37 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.806 0.813 . . . . 61.22 110.644 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.2 mm? -95.37 162.07 13.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.114 -0.948 . . . . 65.04 109.643 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -123.4 176.48 6.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.541 -0.3 . . . . 73.03 111.037 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.824 HG22 ' H ' ' A' ' 54' ' ' SER . 2.1 m -72.9 -165.14 0.2 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.727 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.824 ' H ' HG22 ' A' ' 53' ' ' THR . 13.9 m -70.46 15.88 0.09 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.232 0.827 . . . . 54.44 113.232 -171.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -73.88 -28.44 61.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.839 -0.8 . . . . 63.32 108.839 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.572 ' HB2' HG21 ' A' ' 43' ' ' ILE . 3.3 pp -71.39 -13.69 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.933 -1.031 . . . . 74.2 111.792 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 60' ' ' ILE . 59.8 tp -72.78 -17.52 61.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 71.12 111.204 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.85 -53.09 61.69 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.01 0.744 . . . . 74.25 113.01 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 25.0 Cg_endo -63.72 -28.21 68.56 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.744 1.629 . . . . 70.41 113.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' ' 63' ' ' VAL . 42.8 mm -71.33 -24.78 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.728 0.775 . . . . 60.42 109.45 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 7.0 tmtm? -70.18 -24.24 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.305 -0.861 . . . . 53.11 109.73 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.14 -48.33 80.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 70.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.6 p -71.74 -28.66 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.227 0.536 . . . . 71.44 110.274 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.802 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 2.9 t70 -57.24 -42.34 81.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 52.33 110.038 173.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -66.7 -24.86 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.508 -0.769 . . . . 62.02 111.824 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -72.15 -5.07 32.91 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.753 0.311 . . . . 75.51 111.626 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.62 -3.76 65.82 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.698 -0.763 . . . . 63.01 111.51 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.63 ' O ' HG22 ' A' ' 71' ' ' VAL . 9.6 mmpt? -98.88 26.21 5.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.125 -0.695 . . . . 75.12 109.125 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.802 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.1 p80 -51.15 -24.82 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.762 -1.108 . . . . 64.44 113.554 -171.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 17.1 t70 -64.86 -32.31 73.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.7 0.286 . . . . 70.32 110.979 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 68' ' ' LYS . 14.0 m -65.93 -32.78 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.557 -0.292 . . . . 54.34 110.922 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.47 82.2 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.951 0.405 . . . . 62.52 110.692 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.555 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.3 mm-40 -64.09 -44.1 93.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.746 -0.661 . . . . 41.3 110.719 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 20.8 mmt180 -60.96 -34.63 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 63.14 110.484 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.685 ' HB3' HD13 ' A' ' 39' ' ' ILE . 98.5 mt -73.51 -51.12 18.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 74.32 111.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.555 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 18.2 pt20 -58.66 -38.19 77.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 65.11 111.834 -175.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 27.4 mt-30 -53.28 -28.12 26.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 71.44 112.149 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.53 ' NH1' HD12 ' A' ' 35' ' ' LEU . 67.9 ttt180 -64.55 -53.89 40.84 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.935 -0.306 . . . . 74.41 110.827 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.52 ' HA ' ' HZ ' ' A' ' 9' ' ' PHE . 15.0 p -70.3 -35.46 62.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 121.004 -0.279 . . . . 72.11 110.802 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -64.18 -45.89 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.03 110.861 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.74 -50.01 54.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 64.31 111.176 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.796 HG12 ' HE1' ' A' ' 16' ' ' TRP . 61.9 mt -60.07 -40.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.356 . . . . 74.53 111.361 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.5 ttm -62.08 -29.06 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 73.32 110.95 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 27.0 mmt180 -68.73 -39.93 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.694 -0.23 . . . . 71.44 110.542 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -68.19 -34.21 75.85 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.627 -0.509 . . . . 74.41 109.627 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.657 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 75.14 111.191 177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 75.9 t -74.65 -34.4 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.238 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.82 -28.08 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 71.32 110.4 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -89.74 -5.78 56.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 75.13 110.314 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.382 -0.826 . . . . 45.11 112.892 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 86' ' ' ALA . 52.8 p90 -98.35 -2.08 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.979 -0.689 . . . . 72.5 111.521 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.7 pt -114.31 -18.73 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.474 -0.33 . . . . 65.42 110.311 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 t70 71.16 -57.39 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.361 -0.836 . . . . 74.43 112.254 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.9 t -92.94 178.43 5.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.778 0.323 . . . . 70.11 110.534 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 98' ' ' SER . 3.2 t-20 -124.75 86.58 55.79 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 116.324 -0.398 . . . . 72.3 110.047 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.94 -52.39 7.48 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.142 2.561 . . . . 72.54 113.007 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' A' ' 100' ' ' MET . . . -100.71 84.61 2.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 44.35 110.379 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.44 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 14.9 t -77.67 -23.34 49.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.314 -0.857 . . . . 70.23 110.313 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -123.66 -66.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.927 -0.579 . . . . 64.41 110.064 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.636 ' HB2' ' HB1' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 58.42 86.39 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.528 -0.76 . . . . 64.21 111.386 178.285 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.51 ' HB3' ' NE2' ' A' ' 76' ' ' GLN . . . 58.83 45.6 15.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.621 -0.718 . . . . 74.22 111.644 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.83 131.22 15.46 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.826 -0.624 . . . . 73.42 111.832 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.49 98.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.229 0.611 . . . . 50.23 111.062 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -80.41 -58.55 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.839 -0.619 . . . . 71.11 110.059 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 t -151.96 -73.05 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.982 0.42 . . . . 71.31 110.277 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.8 p -96.51 102.03 13.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.162 0.506 . . . . 70.43 111.507 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -77.72 139.23 39.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.627 -0.715 . . . . 55.1 111.006 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -168.85 1.92 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.893 -0.41 . . . . 73.54 109.893 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.56 7.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.394 -0.366 . . . . 72.45 111.445 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.522 ' HA ' HH11 ' A' ' 110' ' ' ARG . 0.9 OUTLIER 55.21 74.13 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.597 0.713 . . . . 75.14 110.138 -174.261 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -87.58 110.62 20.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.243 -0.889 . . . . 72.33 109.541 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.6 t80 62.5 83.7 0.2 Allowed Pre-proline 0 C--O 1.234 0.258 0 O-C-N 123.658 0.599 . . . . 74.12 110.07 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.37 155.06 51.19 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.68 2.254 . . . . 71.44 112.461 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 30.3 tp -114.77 -14.69 11.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.214 -0.903 . . . . 51.1 109.224 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.83 42.62 0.24 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.082 -0.963 . . . . 73.23 112.469 -174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -127.8 -6.09 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.261 -0.274 . . . . 71.23 111.662 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -146.56 122.3 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.48 . . . . 74.25 110.398 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -153.0 119.77 5.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.694 . . . . 63.12 109.858 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -161.77 107.9 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.433 0.635 . . . . 70.24 110.609 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -176.44 124.86 0.18 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.268 -0.878 . . . . 62.31 108.974 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.402 -0.809 . . . . 64.42 110.157 -178.58 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 25.7 ttt . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.33 0.586 . . . . 71.31 109.688 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 25' ' ' GLU . 1.2 mp0 -82.03 -16.79 48.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.876 -0.602 . . . . 73.52 110.63 -175.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -86.11 86.5 7.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.389 -0.597 . . . . 70.23 109.389 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.8 m -130.02 120.2 24.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.677 -0.692 . . . . 70.25 110.222 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.01 84.7 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.052 -0.594 . . . . 55.34 112.013 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.77 9.59 29.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.803 0.335 . . . . 62.33 110.488 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 61.75 21.53 12.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.732 -0.667 . . . . 64.14 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 9' ' ' PHE . 1.9 m -100.99 -170.43 1.84 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.305 -0.861 . . . . 62.12 109.05 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.824 ' HA ' HD12 ' A' ' 48' ' ' ILE . 56.3 t80 -48.87 -41.77 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.797 0.439 . . . . 75.12 111.723 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.497 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -64.3 -32.22 73.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.608 0.595 . . . . 74.01 112.608 -176.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.2 m -67.46 -43.06 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 72.3 111.024 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.44 -37.21 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.067 0.461 . . . . 54.33 110.193 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -61.0 -42.58 98.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 52.42 111.895 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 14' ' ' ARG . 2.4 ptm180 -72.41 -28.48 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.828 -175.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.26 -60.16 3.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.603 -0.726 . . . . 74.3 111.688 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HE1' HD13 ' A' ' 82' ' ' ILE . 59.4 p-90 -80.98 -23.67 38.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.514 . . . . 74.04 111.283 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.646 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 2.0 t-80 -49.54 -27.99 5.03 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.83 0.678 . . . . 70.1 112.83 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.01 -42.73 72.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.082 0.468 . . . . 75.13 110.93 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 115' ' ' GLU . 12.8 m -70.54 -22.84 62.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 65.04 110.909 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -83.95 -80.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 71.14 109.61 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tptt 177.69 143.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 73.55 109.988 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 73.67 115.78 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.482 0.919 . . . . 63.23 113.482 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 p90 -121.84 137.15 54.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.932 -1.031 . . . . 72.23 108.268 166.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.425 ' HB3' ' HB2' ' A' ' 27' ' ' HIS . 50.9 m -153.13 54.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 71.54 111.407 -174.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.545 ' HB3' ' HA ' ' A' ' 2' ' ' GLU . 29.5 mp0 -58.93 -35.16 72.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.235 -0.438 . . . . 75.14 111.512 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.83 -35.9 82.59 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.17 0.51 . . . . 73.24 110.79 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 24' ' ' SER . 13.3 m170 -75.14 -28.81 60.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 70.14 110.653 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.28 -32.14 10.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.215 -0.902 . . . . 64.55 112.544 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 t -65.89 -52.27 51.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.662 0.245 . . . . 72.32 111.662 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -83.94 -33.76 24.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.243 0.46 . . . . 73.13 112.243 -177.068 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.61 -20.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.716 0.293 . . . . 75.44 111.586 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.96 -26.77 16.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.17 -0.468 . . . . 44.14 111.786 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -56.08 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 73.3 110.295 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -71.92 -26.56 62.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.402 -0.363 . . . . 72.35 110.574 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' HB ' ' A' ' 39' ' ' ILE . 2.6 tm? -51.77 -54.38 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.778 -0.646 . . . . 72.13 110.446 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.76 -28.69 61.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.096 0.406 . . . . 73.3 112.096 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.38 -47.43 76.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.393 . . . . 71.53 111.785 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' HD1' ' H ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -114.98 -15.11 11.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 72.03 111.712 -175.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.512 HG22 ' CD2' ' A' ' 40' ' ' PHE . 48.9 mm -115.1 114.48 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.416 -0.957 . . . . 75.13 108.416 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 69.1 m-85 71.29 54.42 0.39 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.525 -1.216 . . . . 73.11 110.756 -174.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 23.8 Cg_exo -63.57 -57.83 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.535 1.49 . . . . 73.41 111.412 -176.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 -41.03 5.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.188 0.518 . . . . 72.52 110.694 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' H ' HG13 ' A' ' 43' ' ' ILE . 2.4 pp -78.77 15.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.047 0.758 . . . . 71.42 113.047 -172.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.573 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -66.18 -11.63 55.95 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.868 -0.682 . . . . 52.41 113.15 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 m -96.5 15.02 22.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.31 . . . . 65.1 111.136 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.548 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 18.9 m -107.99 140.74 40.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 74.31 111.35 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.557 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 9.0 t0 -74.09 148.41 41.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 74.23 109.644 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 9' ' ' PHE . 11.7 tt -71.6 -28.09 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.014 0.435 . . . . 75.43 111.127 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.557 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 23.9 ptt180 -76.23 -21.52 56.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.457 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -132.15 77.38 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.525 0.678 . . . . 43.42 109.986 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tp -88.99 162.69 15.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.083 -0.962 . . . . 73.34 109.191 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HE2' ' OG ' ' A' ' 46' ' ' SER . 3.6 mptp? -79.84 174.8 11.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 74.25 110.613 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.773 HG22 ' H ' ' A' ' 54' ' ' SER . 1.8 m -82.93 -162.6 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 73.2 108.733 173.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.773 ' H ' HG22 ' A' ' 53' ' ' THR . 3.0 m -49.56 -18.01 0.38 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.155 0.798 . . . . 75.54 113.155 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -55.77 -29.55 59.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.548 0.339 . . . . 73.33 111.256 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -65.07 -15.3 62.21 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.262 -0.426 . . . . 74.35 111.782 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.79 -14.81 59.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.333 . . . . 71.25 111.243 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -53.15 -52.61 64.15 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.887 0.699 . . . . 71.44 112.887 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 22.6 Cg_endo -63.11 -27.58 73.42 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 61.45 112.931 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.593 ' HA ' HG22 ' A' ' 63' ' ' VAL . 2.6 mp -69.08 -25.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.271 -0.64 . . . . 75.24 109.271 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 45.9 mmtt -70.54 -32.14 69.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.33 0.586 . . . . 74.43 110.484 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 59' ' ' PRO . 37.5 mt-10 -67.74 -41.27 83.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.828 -0.624 . . . . 72.14 110.155 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 60' ' ' ILE . 33.5 m -77.82 -29.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 63.04 111.787 -178.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -42.19 64.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.615 -0.513 . . . . 71.31 109.615 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -66.84 -16.37 64.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.407 0.622 . . . . 54.51 110.22 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -81.71 4.5 21.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 72.0 110.995 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.45 2.54 27.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.316 -0.945 . . . . 74.14 113.003 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -104.98 65.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.243 0.544 . . . . 72.43 110.645 178.506 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -70.92 -49.71 42.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 74.34 111.031 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 3.8 m-20 -66.53 -40.94 89.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.029 0.442 . . . . 73.35 110.033 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.744 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 59.4 t -56.73 -43.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.29 -0.868 . . . . 74.4 111.554 -176.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -53.44 -57.17 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.313 . . . . 72.13 111.626 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -60.35 -48.05 83.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 73.11 111.179 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 42.7 mtp180 -60.23 -34.95 74.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 75.0 111.288 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 38' ' ' TYR . 6.3 mp -73.23 -48.74 32.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.814 -0.176 . . . . 73.42 111.344 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.526 ' HA ' HG12 ' A' ' 79' ' ' VAL . 17.0 pt20 -64.39 -35.35 80.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 75.23 111.202 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.13 -33.11 70.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.683 -0.69 . . . . 62.15 110.792 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.76 -40.1 19.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 75.22 112.09 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 76' ' ' GLN . 12.3 p -64.13 -34.11 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.893 0.331 . . . . 72.53 111.893 -174.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.8 t -71.0 -30.61 66.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.976 0.417 . . . . 61.33 110.401 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.77 71.86 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.256 -0.429 . . . . 21.5 110.418 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 9' ' ' PHE . 27.6 mm -59.73 -53.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.521 0.677 . . . . 60.42 110.119 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.635 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 49.8 ttm -63.18 -39.75 95.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.852 -1.067 . . . . 73.44 110.791 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -64.36 -36.71 85.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 62.33 111.148 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.059 0.457 . . . . 74.41 109.872 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.35 83.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 74.24 111.272 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 44.9 t -74.94 -33.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 62.21 110.633 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -60.89 -41.3 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.049 -0.723 . . . . 72.3 109.049 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -15.27 60.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.492 -0.776 . . . . 62.02 111.036 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 t70 64.25 29.83 13.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.058 0.932 . . . . 71.32 109.419 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -81.34 -32.68 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.988 -1.005 . . . . 74.43 110.712 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.71 -171.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 72.53 110.119 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -98.26 -43.14 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.291 0.478 . . . . 63.12 112.291 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -151.81 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.771 0.319 . . . . 70.2 111.021 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 1.035 ' HB3' ' HB2' ' A' ' 98' ' ' SER . 14.4 m120 -116.09 85.84 15.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 73.33 111.024 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.635 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 23.6 Cg_exo -64.85 -39.96 23.48 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.516 2.144 . . . . 44.4 112.302 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.433 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . -116.39 43.9 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.093 0.473 . . . . 72.21 111.034 -177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 1.035 ' HB2' ' HB3' ' A' ' 95' ' ' ASN . 8.2 t -76.49 -46.95 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.352 -0.611 . . . . 23.11 109.352 177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -111.49 88.0 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 34.24 109.821 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.433 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.1 ppp? -135.36 -15.44 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 74.13 111.024 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.65 111.88 23.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 54.33 111.438 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.67 171.39 30.37 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.867 -0.682 . . . . 62.22 111.919 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.4 92.17 4.21 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.893 0.378 . . . . 61.52 110.912 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 pp -100.84 -32.51 10.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.311 -0.404 . . . . 51.13 111.733 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.4 m -154.96 27.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 62.35 110.692 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.02 102.13 6.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.889 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.01 148.98 50.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.143 -0.48 . . . . 75.1 109.85 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.814 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -82.01 106.46 13.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 72.43 111.643 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.562 ' C ' ' HD2' ' A' ' 110' ' ' ARG . . . 177.99 37.59 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.51 -1.223 . . . . 65.22 110.259 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.562 ' HD2' ' C ' ' A' ' 109' ' ' ALA . 2.2 mpt_? -127.44 -168.76 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.539 -0.301 . . . . 73.41 111.226 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 63.63 80.12 0.24 Allowed 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.83 0.706 . . . . 75.22 110.63 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.21 114.1 16.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 53.41 111.109 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -80.39 145.74 16.97 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.43 2.087 . . . . 73.01 111.324 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 49.7 tp -143.28 -69.75 0.33 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.096 -0.502 . . . . 62.21 109.946 177.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 19' ' ' SER . 8.1 tp10 -110.45 147.2 34.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -135.49 97.67 3.75 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.345 0.593 . . . . 72.43 110.806 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -75.97 96.25 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 73.24 109.86 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -110.32 143.68 40.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 84.2 t60 64.79 83.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.934 0.771 . . . . 71.44 110.519 -177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -95.84 99.76 11.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.235 -0.654 . . . . 73.34 109.235 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.547 -0.739 . . . . 73.53 109.98 -176.697 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.724 0.297 . . . . 51.52 111.416 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -68.46 -35.14 77.14 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.908 0.707 . . . . 61.33 112.908 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -65.15 101.42 0.53 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.88 0.372 . . . . 60.41 110.385 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 m -103.64 122.47 45.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.2 -0.454 . . . . 72.33 111.518 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.93 13.96 76.38 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.936 -0.575 . . . . 73.11 113.222 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HB3' HG21 ' A' ' 11' ' ' THR . . . -101.13 102.12 12.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.772 0.32 . . . . 71.44 110.86 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -93.81 73.07 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.231 0.539 . . . . 74.41 110.139 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.57 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 18.9 m -119.87 150.23 40.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.628 -0.715 . . . . 74.52 110.427 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.673 ' HA ' HD12 ' A' ' 48' ' ' ILE . 37.5 t80 -50.75 -50.68 55.15 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.666 0.604 . . . . 74.13 111.515 -178.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -73.75 -31.87 63.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 63.32 111.631 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.57 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 16.1 m -65.17 -39.68 93.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.298 -0.41 . . . . 75.32 111.133 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.496 HD12 HD13 ' A' ' 48' ' ' ILE . 50.3 mt -72.37 -28.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.944 0.402 . . . . 71.41 110.433 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.25 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 74.1 111.844 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 15.1 ptm180 -76.85 -32.89 57.84 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.763 -0.375 . . . . 73.34 110.877 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -54.91 -53.35 56.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.728 -0.669 . . . . 73.31 111.92 -172.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -79.41 -26.19 41.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.47 -0.492 . . . . 74.24 111.346 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -75.08 -24.67 58.2 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.324 0.49 . . . . 71.33 112.324 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 37.0 mt-10 -63.83 4.45 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.716 1.006 . . . . 72.24 113.716 -174.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -74.0 -7.34 52.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.448 0.642 . . . . 72.31 109.474 168.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 70.53 91.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.586 -1.188 . . . . 75.3 112.044 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 58.9 mmtt -113.44 92.62 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.166 -0.924 . . . . 73.24 109.569 168.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.66 -73.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.459 -1.246 . . . . 54.31 112.134 -178.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -64.14 127.1 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 73.52 111.57 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.8 m -86.7 164.7 16.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.635 . . . . 43.35 110.578 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -68.13 -33.38 74.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.669 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -56.01 -50.6 70.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 73.05 110.781 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 30' ' ' ARG . 78.8 m-70 -73.89 -27.74 61.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.698 -0.683 . . . . 73.22 110.705 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.479 ' NH1' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.06 -41.86 68.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.002 0.429 . . . . 75.51 110.11 175.1 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -75.81 -41.67 52.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 72.03 110.689 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 24.8 mtt180 -57.03 -51.67 68.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.505 . . . . 51.13 111.402 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.22 -14.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 74.41 112.165 -173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD13 ' NH1' ' A' ' 28' ' ' ARG . 52.6 tp -50.54 -37.45 39.44 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.823 0.675 . . . . 74.43 112.823 -172.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -61.5 -50.57 72.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.243 0.544 . . . . 73.03 110.176 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -70.98 -28.79 64.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 70.23 110.427 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.33 -51.74 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 72.43 110.582 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.3 pt-20 -72.75 -30.68 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.378 -0.529 . . . . 63.52 110.803 -177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.08 -23.77 63.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 74.42 111.013 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -100.56 -44.86 5.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 71.41 111.085 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.611 HD11 HD12 ' A' ' 75' ' ' LEU . 69.2 mt -96.69 -29.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.129 0.418 . . . . 74.51 112.129 -173.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 93.8 m-85 -120.27 68.53 13.93 Favored Pre-proline 0 CA--C 1.534 0.33 0 O-C-N 122.024 -0.423 . . . . 73.54 111.841 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 3.2 Cg_exo -74.94 -57.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.628 1.552 . . . . 75.33 111.663 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -105.49 -28.19 10.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.524 . . . . 45.31 110.953 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.2 pt -87.04 8.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 112.523 0.564 . . . . 74.12 112.523 -168.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -81.49 -5.21 90.12 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.691 -0.766 . . . . 70.01 111.989 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 p -85.59 -11.74 53.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.405 . . . . 65.51 110.666 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -69.19 140.93 54.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.842 -0.617 . . . . 71.3 110.826 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -96.5 150.14 20.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 9' ' ' PHE . 16.3 tt -67.48 -19.56 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.006 0.432 . . . . 64.53 111.234 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.64 -31.84 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.974 0.416 . . . . 75.44 110.416 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.25 89.44 2.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.413 -0.588 . . . . 74.41 109.413 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.74 161.54 13.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.918 -0.583 . . . . 63.02 109.629 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -105.93 172.47 6.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.106 0.479 . . . . 72.42 111.577 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.609 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -87.01 -160.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 74.13 111.653 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.438 ' H ' ' HB ' ' A' ' 53' ' ' THR . 4.6 m -59.11 5.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.213 1.19 . . . . 75.32 114.213 -172.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -69.33 -29.58 67.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.415 0.626 . . . . 74.14 109.601 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 53' ' ' THR . 3.2 pp -77.14 -12.5 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.446 -0.797 . . . . 71.23 111.248 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 100' ' ' MET . 61.0 tp -70.47 -26.48 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.44 111.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.65 -50.94 84.11 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.041 0.386 . . . . 74.41 112.041 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.4 Cg_exo -50.15 -47.66 23.05 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.675 2.25 . . . . 74.33 113.574 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 76' ' ' GLN . 47.5 mm -63.68 -33.49 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.624 0.726 . . . . 74.21 110.101 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 57.9 mmtt -69.98 -23.41 63.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.26 -0.882 . . . . 75.21 111.906 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' OE2' ' HA ' ' A' ' 59' ' ' PRO . 55.0 mt-10 -54.24 -38.91 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.177 0.513 . . . . 71.44 110.044 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.74 -48.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 73.04 110.247 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.26 -37.31 62.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.075 -0.966 . . . . 74.1 111.337 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.3 m -63.98 -38.42 91.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.986 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 -41.7 72.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.604 0.716 . . . . 74.0 109.397 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 -146.31 14.29 Favored Glycine 0 N--CA 1.43 -1.728 0 N-CA-C 108.852 -1.699 . . . . 60.31 108.852 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 54.03 30.8 12.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.211 0.529 . . . . 73.02 111.018 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -61.42 -33.71 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.305 -0.861 . . . . 75.0 111.59 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.98 -53.16 22.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.768 0.318 . . . . 72.12 110.835 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.36 -34.48 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.099 -0.5 . . . . 64.43 110.771 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.44 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.665 0.269 . . . . 62.14 110.705 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.48 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -62.0 -43.64 98.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.163 0.506 . . . . 61.44 111.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 20.1 tpt180 -64.57 -38.49 91.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.112 -0.495 . . . . 64.34 111.1 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.611 HD12 HD11 ' A' ' 39' ' ' ILE . 3.3 mm? -73.7 -43.95 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.206 0.447 . . . . 74.24 112.206 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 16.7 pt20 -56.67 -34.48 67.42 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 74.4 110.966 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -52.78 -23.77 7.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.984 -1.007 . . . . 73.13 112.45 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.47 ' O ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -60.2 -34.07 73.12 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.114 0.483 . . . . 54.1 110.405 179.374 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.86 -40.19 78.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 74.11 109.773 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -66.85 -34.51 77.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.573 -0.739 . . . . 65.35 110.674 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 74.35 110.602 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 78' ' ' ARG . 46.8 mm -61.67 -41.96 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 61.35 110.294 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.62 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 4.7 mmt -57.94 -33.02 68.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 73.44 111.483 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -60.95 -58.88 6.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.995 -0.372 . . . . 72.35 109.995 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.74 -34.76 78.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 73.53 110.505 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 64.43 111.553 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.529 HG21 ' HA ' ' A' ' 95' ' ' ASN . 61.2 t -72.05 -32.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.359 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -66.14 -24.42 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.769 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.437 ' HB3' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -76.34 -3.7 38.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.635 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 66.01 25.99 10.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.385 0.883 . . . . 74.22 113.385 170.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.476 ' CD1' HG23 ' A' ' 92' ' ' ILE . 31.8 p90 -103.93 -10.14 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.655 -0.818 . . . . 74.24 111.345 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 91' ' ' TYR . 17.8 pt -140.51 142.47 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 45.44 110.552 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.35 87.24 2.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.081 0.467 . . . . 72.21 110.676 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.0 m -161.4 -52.0 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.465 -0.789 . . . . 74.03 109.966 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.529 ' HA ' HG21 ' A' ' 87' ' ' VAL . 15.6 t-20 60.6 79.28 0.29 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.398 -0.819 . . . . 74.14 110.86 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.62 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 5.6 Cg_exo -78.91 -167.41 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.066 2.51 . . . . 52.05 111.394 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.13 6.82 3.72 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.711 -0.677 . . . . 74.42 111.959 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 p -66.26 -41.41 89.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.069 0.462 . . . . 73.53 111.024 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -90.57 -7.57 52.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 74.12 110.094 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.483 ' HG2' ' HB2' ' A' ' 57' ' ' LEU . 1.7 tmt? -73.38 -51.43 17.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 61.43 110.02 -177.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.84 76.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.971 -0.559 . . . . 52.31 109.558 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.95 -156.88 9.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.804 -0.712 . . . . 70.41 112.615 -177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.47 89.68 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 71.01 110.952 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -109.0 -73.73 0.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.213 -0.662 . . . . 74.11 109.213 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.1 t -107.21 17.42 22.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 62.41 109.805 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -142.47 172.54 12.56 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.454 -0.794 . . . . 72.24 109.408 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.4 m 72.17 155.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.078 0.861 . . . . 71.33 111.388 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.16 77.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.212 -0.904 . . . . 74.23 111.709 -176.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.59 -63.4 1.4 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.326 -0.99 . . . . 70.31 108.326 172.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 44.21 74.71 0.12 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.852 -1.067 . . . . 72.03 111.444 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -164.54 88.72 0.5 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.056 -0.975 . . . . 74.44 108.741 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.449 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 48.3 t80 -161.31 125.49 2.01 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.793 -0.639 . . . . 71.34 109.965 -173.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 2.9 Cg_exo -71.77 99.97 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.455 2.103 . . . . 75.03 110.707 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.779 ' H ' HD23 ' A' ' 114' ' ' LEU . 2.5 pt? -99.35 4.18 46.26 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.217 -0.901 . . . . 51.03 111.126 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.11 152.55 20.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 74.03 111.752 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -146.82 169.83 18.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 75.24 110.348 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -136.69 147.08 46.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 72.42 109.828 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -96.59 123.58 40.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.987 0.422 . . . . 74.44 111.283 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -132.87 100.78 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.868 -0.79 . . . . 63.45 108.868 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -98.4 111.2 23.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.015 -0.539 . . . . 74.14 110.931 -172.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 118.133 -0.937 . . . . 75.43 110.508 179.486 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.836 0.351 . . . . 53.54 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.75 112.75 24.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.251 0.548 . . . . 55.24 110.644 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -101.05 20.99 14.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 64.14 110.575 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 t -62.51 -72.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 73.31 109.716 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.61 -39.16 9.04 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.126 -1.189 . . . . 64.0 110.126 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.79 92.88 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.417 0.687 . . . . 62.25 112.176 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -81.53 43.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.579 -0.737 . . . . 74.43 110.189 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 10' ' ' GLU . 10.2 m -103.99 143.08 33.35 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.675 -0.693 . . . . 72.31 110.285 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.845 ' HA ' HD12 ' A' ' 48' ' ' ILE . 54.1 t80 -58.8 -37.7 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 71.52 110.602 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 27.9 tt0 -66.22 -46.22 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 74.34 111.826 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -62.04 -39.6 92.9 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.417 0.525 . . . . 71.43 112.417 -173.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.663 HD12 HD13 ' A' ' 48' ' ' ILE . 59.6 mt -74.17 -36.0 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.869 0.366 . . . . 74.15 110.448 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.18 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.947 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.3 mtt180 -55.87 -46.49 78.26 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.091 -0.504 . . . . 75.25 111.218 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -58.25 8.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 62.52 112.082 -165.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -75.24 -33.92 61.36 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.312 -0.404 . . . . 74.01 111.427 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -72.45 -27.98 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.988 0.366 . . . . 53.4 111.988 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.1 mt-10 -68.1 1.0 3.06 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.021 0.378 . . . . 75.04 112.021 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -67.22 -24.15 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 71.52 109.234 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.68 90.1 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.089 -0.96 . . . . 64.24 108.786 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -156.17 145.43 20.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 75.45 111.191 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -163.15 81.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.035 -0.53 . . . . 75.2 110.117 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 44.82 57.18 4.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.411 -0.813 . . . . 75.22 112.591 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -115.22 17.76 16.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.402 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.1 tp10 -69.55 -40.18 76.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.773 -0.649 . . . . 74.13 111.87 -172.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.12 -50.09 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.849 0.315 . . . . 65.0 111.849 -172.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -74.8 -26.86 60.03 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.487 -0.485 . . . . 72.21 111.555 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HG12 ' A' ' 31' ' ' VAL . 3.7 ppt_? -72.61 -24.29 61.05 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.541 -0.464 . . . . 75.23 110.42 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.0 m -70.23 -28.07 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 35.34 110.625 175.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 30' ' ' ARG . 32.0 mtt180 -82.13 -48.86 10.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.371 0.605 . . . . 64.3 109.996 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 28' ' ' ARG . 8.9 p -67.95 -13.08 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.361 -0.836 . . . . 71.13 111.155 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 36.9 tp -50.65 -32.56 19.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.098 -0.501 . . . . 55.44 111.462 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -55.83 -43.68 77.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.166 0.508 . . . . 64.42 110.802 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -68.59 -40.44 80.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.555 -0.748 . . . . 74.43 110.14 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.91 -51.45 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 73.35 110.255 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 49.2 mt-10 -59.32 -41.97 90.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 51.31 111.444 -178.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 tp -70.83 -36.66 73.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.479 . . . . 70.23 112.281 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -96.39 -26.88 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 49.0 mm -92.25 -31.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.737 -0.385 . . . . 71.31 111.081 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -128.9 61.99 59.31 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 63.53 111.18 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.9 Cg_endo -80.22 -58.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.948 1.765 . . . . 73.21 112.506 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -107.83 -2.85 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 75.33 110.585 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG23 ' HG2' ' A' ' 59' ' ' PRO . 27.0 pt -123.6 13.45 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.982 0.734 . . . . 54.42 112.982 -166.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.4 -9.24 72.83 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.672 -0.775 . . . . 52.24 113.404 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 p -90.67 8.64 33.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.766 -0.255 . . . . 60.25 111.683 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -93.47 151.47 19.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.722 0.296 . . . . 54.33 111.542 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.651 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 17.5 t70 -87.96 160.73 17.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 74.04 109.999 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 9' ' ' PHE . 15.3 tt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 112.466 0.543 . . . . 74.45 112.466 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.651 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 35.5 ptt-85 -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.149 -0.62 . . . . 73.1 111.016 -175.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -146.23 80.05 1.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.525 0.679 . . . . 74.42 109.216 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.38 150.91 33.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.24 -0.891 . . . . 74.4 109.681 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -97.56 175.3 6.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.898 0.38 . . . . 73.52 111.541 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -163.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 62.11 112.287 -176.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 6.9 m -65.56 4.7 0.52 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.599 -0.728 . . . . 72.3 112.517 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -63.6 -28.02 69.64 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 108.244 -1.021 . . . . 74.31 108.244 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.09 -17.34 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.255 -1.339 . . . . 75.44 110.979 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HG ' ' HD3' ' A' ' 61' ' ' LYS . 50.7 tp -80.38 -22.67 41.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 72.11 112.065 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.611 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -49.91 -51.64 59.22 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.008 0.744 . . . . 71.13 113.008 -175.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 47.4 Cg_exo -59.4 -38.47 83.86 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.101 1.867 . . . . 71.11 113.086 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.692 HG21 HE21 ' A' ' 76' ' ' GLN . 3.0 mp -66.09 -28.0 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 70.33 110.158 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.619 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 2.3 mmmp? -69.37 -29.52 67.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.899 0.857 . . . . 43.33 109.698 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.13 -29.51 65.34 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.395 -1.275 . . . . 74.03 109.88 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.99 -47.07 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 61.33 111.111 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.771 ' HB2' ' HA ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -63.71 -35.16 79.64 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.498 -0.319 . . . . 70.32 110.862 -176.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.9 m -63.5 -21.62 66.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.031 0.443 . . . . 73.43 111.221 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 m -76.21 -9.55 58.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.424 -0.353 . . . . 73.45 111.054 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.14 -45.36 1.08 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.454 -0.879 . . . . 44.45 113.023 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.676 ' HB3' HG12 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -81.86 78.97 8.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.644 0.735 . . . . 61.51 111.457 -176.406 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.771 ' HA ' ' HB2' ' A' ' 64' ' ' ASP . 19.4 t60 -73.48 -48.98 29.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.701 -1.136 . . . . 74.01 111.377 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.11 -45.25 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 64.3 112.584 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.676 HG12 ' HB3' ' A' ' 68' ' ' LYS . 9.8 p -60.36 -33.91 55.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.694 0.283 . . . . 74.35 110.672 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.61 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.974 0.416 . . . . 44.42 110.352 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -65.51 -44.72 86.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 51.42 111.056 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.66 -39.35 91.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 70.32 110.481 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 HG22 ' A' ' 71' ' ' VAL . 7.2 mp -74.1 -46.31 43.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 74.3 112.199 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.692 HE21 HG21 ' A' ' 60' ' ' ILE . 3.0 pt20 -61.25 -36.16 79.22 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.022 0.379 . . . . 74.41 112.022 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -20.3 2.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.662 -0.699 . . . . 75.34 112.459 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.8 ptp180 -58.04 -33.01 68.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.788 0.292 . . . . 72.22 111.788 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 76' ' ' GLN . 35.3 m -59.89 -35.74 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 53.44 111.48 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -69.28 -37.41 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.46 . . . . 63.2 110.198 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.32 79.83 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.894 -0.594 . . . . 72.2 110.411 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 78' ' ' ARG . 42.8 mm -58.54 -50.48 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.99 -0.55 . . . . 55.54 110.095 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.509 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 24.0 mmt -60.08 -39.09 84.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 75.13 111.134 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -61.17 -46.53 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 75.22 110.956 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -73.17 -41.03 64.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.907 0.384 . . . . 70.12 110.802 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.584 ' HB1' HG23 ' A' ' 92' ' ' ILE . . . -62.71 -38.22 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 53.23 111.718 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.547 ' HB ' HD11 ' A' ' 92' ' ' ILE . 5.5 p -72.14 -31.78 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.21 0.528 . . . . 75.41 110.0 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.11 69.72 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.254 -0.884 . . . . 60.53 110.216 -176.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -98.38 12.9 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.438 -0.801 . . . . 64.23 110.757 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 62.22 30.22 17.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.431 0.53 . . . . 74.43 112.431 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -86.57 -49.02 7.85 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.766 -0.374 . . . . 74.51 111.816 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 49' ' ' ARG . 39.1 pt -88.29 163.85 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 64.44 112.206 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.79 -59.01 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 63.52 111.007 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' HD12 ' A' ' 92' ' ' ILE . 1.7 p -131.84 173.67 10.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 51.13 110.77 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.51 88.16 7.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 75.31 111.558 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.509 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 94.9 Cg_endo -87.27 -171.34 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.775 2.317 . . . . 71.23 111.397 174.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.7 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 70.79 -2.44 2.28 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.475 0.546 . . . . 70.31 112.475 175.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 53.11 110.616 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.09 15.02 10.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.878 0.847 . . . . 72.2 109.027 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.7 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 23.8 ttt -71.11 -31.62 68.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.275 -0.875 . . . . 72.34 110.657 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.29 134.83 54.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.827 -0.624 . . . . 62.11 110.055 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.9 -135.77 1.88 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.428 -0.891 . . . . 64.41 112.801 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.1 81.73 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.135 0.493 . . . . 62.21 111.823 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 pp -136.49 -6.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.747 -0.66 . . . . 75.13 110.382 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.5 m -112.88 -7.35 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.811 -0.631 . . . . 62.21 110.204 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -99.95 105.13 16.8 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.669 -0.696 . . . . 72.1 110.944 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.02 143.81 38.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.99 -0.55 . . . . 62.34 110.489 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt 179.67 178.11 0.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.311 -0.859 . . . . 64.34 109.322 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.49 -69.1 0.06 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.045 -0.525 . . . . 53.41 110.698 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 111' ' ' HIS . 13.8 tpt180 179.72 156.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.781 -0.822 . . . . 75.34 108.781 -177.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 110' ' ' ARG . 49.9 t-80 74.78 89.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.685 0.615 . . . . 72.13 111.3 175.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 74.4 t80 -116.05 115.44 40.78 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.576 -0.738 . . . . 75.11 109.115 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 1.0 OUTLIER -76.76 107.24 2.4 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.479 2.119 . . . . 62.34 112.272 -176.285 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 tp -75.53 -36.17 60.55 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.222 -0.899 . . . . 71.14 110.594 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -86.86 34.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 45.22 111.059 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.475 ' HB2' ' HB2' ' A' ' 113' ' ' PRO . 53.5 t-80 -122.14 92.45 3.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.239 -0.437 . . . . 73.32 109.857 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -101.87 83.47 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.307 0.575 . . . . 73.51 110.967 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 53.2 t60 178.97 121.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.329 -1.36 . . . . 63.35 107.329 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -82.85 76.24 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.399 -0.52 . . . . 73.51 111.49 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -177.74 107.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.238 -0.892 . . . . 71.41 109.838 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.003 -0.999 . . . . 70.33 109.202 177.174 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.624 -0.51 . . . . 72.11 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.61 . . . . 72.42 111.081 -174.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.88 138.51 33.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.64 . . . . 74.22 109.664 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 68.04 -152.27 0.17 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.705 0.628 . . . . 71.11 109.603 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.62 -52.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.461 -0.876 . . . . 72.33 112.046 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.59 90.88 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.167 -0.308 . . . . 62.44 110.167 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -74.4 94.03 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.122 0.487 . . . . 64.43 110.231 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.701 ' HB ' ' OE1' ' A' ' 10' ' ' GLU . 1.2 m -115.55 -177.03 3.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.764 -0.653 . . . . 70.24 110.064 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.668 ' H ' HG22 ' A' ' 8' ' ' THR . 72.0 t80 -55.49 -42.54 74.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.676 0.39 . . . . 75.21 111.613 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.701 ' OE1' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -72.26 -31.75 66.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 71.02 111.99 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 64.54 110.902 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.48 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 71.14 110.392 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.55 86.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.564 -0.744 . . . . 44.34 111.288 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.341 . . . . 64.41 111.74 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.32 -56.57 15.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.075 -0.512 . . . . 51.54 111.395 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' HE1' ' HA ' ' A' ' 82' ' ' ILE . 66.2 p-90 -79.55 -32.05 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.729 -0.389 . . . . 75.24 110.854 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -61.52 -35.47 77.8 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.662 0.616 . . . . 71.13 112.662 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.28 -17.2 62.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.05 0.389 . . . . 70.43 112.05 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.5 m -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.281 0.562 . . . . 74.31 110.122 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -113.68 76.41 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.263 -1.014 . . . . 71.04 108.263 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 2.0 tmtp? -98.84 140.19 33.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.54 -0.754 . . . . 72.14 110.844 -170.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.522 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 27.0 ttm180 -98.34 160.38 14.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.847 -0.427 . . . . 65.44 109.847 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -43.31 -73.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.058 1.133 . . . . 70.33 114.058 -167.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.2 p -99.71 115.3 29.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 71.42 112.033 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -69.45 -26.65 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 74.1 111.276 177.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.53 -36.16 83.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.439 . . . . 72.02 110.847 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -74.21 -28.28 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 72.24 110.14 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 24' ' ' SER . 16.3 mmp_? -66.79 -31.39 71.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.089 -0.505 . . . . 71.22 109.668 174.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -62.06 -33.97 75.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.052 -0.522 . . . . 53.22 110.829 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -69.36 -37.23 77.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.957 -0.757 . . . . 72.31 108.957 176.467 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 t -69.89 -21.87 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 73.42 110.321 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.91 -39.24 88.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.237 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -71.38 -40.56 70.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 74.21 110.734 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.58 -43.92 80.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.135 -0.484 . . . . 74.25 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 39' ' ' ILE . 51.8 tp -63.77 -50.62 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 64.51 110.468 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -51.73 -49.47 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 75.42 111.961 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.67 -17.73 64.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.47 0.545 . . . . 73.21 112.47 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -111.07 -23.86 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.075 0.768 . . . . 75.21 113.075 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.524 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 11.2 tp -92.92 -19.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.628 -0.429 . . . . 75.3 110.089 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.826 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 40.8 m-85 -124.11 53.98 7.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 111.899 0.333 . . . . 74.33 111.899 176.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 56.3 Cg_endo -98.85 -59.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.834 1.689 . . . . 63.55 112.983 176.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -106.19 -41.36 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.23 0.538 . . . . 73.42 110.312 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.472 HG21 ' HB2' ' A' ' 56' ' ' LEU . 36.9 pt -91.86 -10.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.518 -0.765 . . . . 73.52 111.444 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.826 ' HA3' ' HA ' ' A' ' 40' ' ' PHE . . . -87.0 21.52 19.53 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.705 -0.76 . . . . 71.12 113.071 -174.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 p -89.05 0.12 56.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.268 0.556 . . . . 75.11 110.507 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 m -114.12 172.91 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 71.53 110.612 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.1 158.62 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.402 -0.592 . . . . 63.12 109.402 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.89 -25.38 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 120.947 0.403 . . . . 74.01 110.837 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 41.6 ttp-105 -72.69 -20.84 61.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.323 -0.398 . . . . 63.32 110.908 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -133.78 72.08 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.279 0.561 . . . . 71.22 110.015 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -97.42 149.96 21.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.659 -0.7 . . . . 70.33 110.346 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 3.5 mptp? -94.63 170.57 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.584 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.893 ' HA ' ' HB2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -79.38 -163.11 0.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 62.11 111.034 -178.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.63 ' H ' HG22 ' A' ' 53' ' ' THR . 16.3 m -62.01 3.49 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.815 0.672 . . . . 65.42 112.815 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -59.34 -31.65 69.38 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.466 -0.568 . . . . 72.13 109.466 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 pp -75.25 -14.91 60.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.433 -0.803 . . . . 73.04 111.31 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.78 -24.48 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 74.43 110.933 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -64.11 -52.95 51.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.546 -0.297 . . . . 73.32 111.271 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.0 Cg_exo -53.81 -35.29 78.64 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.268 1.979 . . . . 74.31 112.969 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.467 HG22 ' HB1' ' A' ' 72' ' ' ALA . 50.8 mm -69.27 -32.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 73.04 109.64 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 18.0 tptp -70.79 -25.27 62.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.481 -0.781 . . . . 72.5 109.543 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 59' ' ' PRO . 34.4 tt0 -62.13 -37.61 85.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.125 -0.943 . . . . 72.54 109.743 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.95 -36.83 65.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.161 0.505 . . . . 75.25 109.773 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.55 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 2.3 t70 -53.84 -51.09 64.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 74.23 109.68 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -60.56 -29.72 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.298 -0.865 . . . . 70.21 111.571 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -69.89 -16.87 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.378 . . . . 72.4 110.984 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.5 -15.98 10.58 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.983 -0.627 . . . . 74.42 112.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.926 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.1 mmpt? -94.81 46.52 1.13 Allowed 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.679 0.752 . . . . 54.35 111.571 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.549 -1.205 . . . . 72.05 110.919 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -74.33 -44.05 54.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 75.43 109.976 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 60.9 t -72.34 -37.86 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 63.53 110.571 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB1' HG22 ' A' ' 60' ' ' ILE . . . -53.29 -51.42 62.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 65.53 111.388 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.607 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 8.5 tt0 -61.87 -45.9 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.412 0.625 . . . . 64.2 111.216 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 8.4 tpt180 -56.37 -32.49 64.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.987 -1.006 . . . . 75.2 111.107 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 97.1 mt -74.15 -49.81 22.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.354 -0.385 . . . . 52.15 111.387 176.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.607 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.6 pt20 -65.62 -41.0 93.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.74 0.305 . . . . 74.33 111.801 -175.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.34 -19.97 65.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 61.11 110.558 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 82' ' ' ILE . 20.9 ttm180 -80.81 -49.67 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.904 -0.589 . . . . 64.44 110.707 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.82 -32.45 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.403 . . . . 63.43 111.098 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 19.0 p -65.34 -32.41 74.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.799 0.333 . . . . 71.51 110.887 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.4 -38.07 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.526 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.552 ' HA ' ' HE1' ' A' ' 16' ' ' TRP . 83.3 mt -60.76 -51.54 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 74.24 110.58 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 ttt -70.97 -25.1 62.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 62.41 110.492 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' THR . 15.0 tpp85 -59.74 -46.08 90.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 74.4 110.364 178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -68.71 -30.07 68.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.355 0.598 . . . . 72.31 109.769 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.024 ' HB1' ' HE1' ' A' ' 91' ' ' TYR . . . -65.76 -22.92 66.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 74.02 111.335 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 46.8 t -72.54 -23.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.468 . . . . 64.41 110.294 176.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.5 tp60 -67.95 -36.57 80.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 61.23 111.265 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -86.17 -7.9 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 75.2 110.492 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 57.02 64.94 1.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.551 -0.75 . . . . 73.44 112.768 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 1.024 ' HE1' ' HB1' ' A' ' 86' ' ' ALA . 7.5 p90 -111.06 0.34 16.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.398 0.618 . . . . 73.32 109.661 169.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.6 pt -130.42 143.61 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.433 -0.803 . . . . 72.13 110.614 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.51 25.35 8.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.952 0.406 . . . . 72.54 110.833 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.4 m -132.46 -60.82 0.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 74.15 110.904 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.2 t30 55.2 78.48 0.38 Allowed Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 115.887 -0.597 . . . . 72.44 111.171 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.893 ' HB2' ' HA ' ' A' ' 53' ' ' THR . 72.5 Cg_endo -76.17 -17.26 17.2 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.706 2.271 . . . . 53.13 112.483 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 80' ' ' THR . . . -82.46 79.49 8.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.311 0.577 . . . . 53.53 110.806 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 m -140.21 -64.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.961 -0.563 . . . . 74.05 111.314 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 46.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.767 0.317 . . . . 73.14 111.233 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mtp -90.47 -41.13 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 72.33 110.966 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.06 23.77 10.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.263 -0.426 . . . . 20.42 110.511 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.62 100.35 0.9 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 31.44 112.606 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 59.79 86.26 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.29 0.567 . . . . 72.22 111.503 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.97 102.73 7.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.177 -0.675 . . . . 70.24 109.177 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 t 71.26 12.5 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.176 -0.92 . . . . 74.4 110.709 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -80.94 114.24 19.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.406 -0.59 . . . . 62.44 109.406 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 -59.56 2.0 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.732 -0.667 . . . . 72.21 112.022 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 21.4 mmtp -90.2 108.57 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.248 0.547 . . . . 62.41 112.007 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -162.2 37.5 0.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.935 -1.029 . . . . 61.53 110.221 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 110' ' ' ARG . 28.1 mmt180 -119.04 -78.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.374 0.509 . . . . 71.31 112.374 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.77 132.31 41.14 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.964 -0.294 . . . . 73.45 110.252 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 45.9 p90 -130.08 140.57 39.05 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.171 -0.468 . . . . 55.34 110.668 -177.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 31.8 Cg_exo -59.66 155.27 43.63 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.937 2.425 . . . . 73.12 111.908 175.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.2 tp -68.94 -49.61 56.49 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.391 -0.822 . . . . 75.42 110.821 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 1.2 tm-20 -171.96 118.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.25 109.861 -177.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -75.22 97.54 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 65.01 110.143 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 115' ' ' GLU . 26.1 m-70 -72.15 -48.39 43.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.325 -172.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -105.2 150.69 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.61 -0.268 . . . . 72.41 110.485 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -95.43 -4.08 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.269 0.47 . . . . 75.42 112.269 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 69.61 123.29 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.34 0.59 . . . . 72.11 111.83 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.435 -0.793 . . . . 72.15 109.735 176.828 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.17 -0.307 . . . . 75.1 110.17 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.25 119.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.019 0.824 . . . . 74.52 112.399 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.67 136.94 45.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.673 -0.694 . . . . 73.14 109.398 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t -141.78 164.19 30.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.84 0.352 . . . . 72.42 110.258 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.06 104.16 0.53 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.092 -0.575 . . . . 74.12 111.749 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.93 -177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.198 0.523 . . . . 75.42 111.041 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -107.07 2.78 25.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.564 -0.744 . . . . 74.22 109.908 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 11' ' ' THR . 24.3 m -58.35 142.23 48.79 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.4 -0.818 . . . . 71.13 111.529 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.69 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 36.7 t80 -48.34 -37.52 16.84 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.7 -0.682 . . . . 73.32 112.234 -177.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.841 0.682 . . . . 54.43 112.841 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 8' ' ' THR . 13.4 t -70.63 -30.66 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.818 -0.353 . . . . 63.1 111.113 -173.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.76 -44.21 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.689 -0.486 . . . . 72.51 109.689 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.2 -35.75 81.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.837 -0.619 . . . . 65.04 111.022 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.66 -45.06 93.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 53.42 110.959 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.36 -54.36 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.547 -0.751 . . . . 74.34 112.372 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.615 ' HE1' HG12 ' A' ' 82' ' ' ILE . 69.5 p-90 -79.47 -38.15 35.22 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.646 -0.422 . . . . 75.52 111.637 -176.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -65.2 -24.9 67.49 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.975 0.361 . . . . 71.44 111.975 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -53.82 -14.71 1.03 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.852 0.686 . . . . 70.03 112.852 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -38.75 88.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 54.24 110.477 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -131.71 84.67 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.121 0.962 . . . . 65.52 110.47 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.59 159.16 20.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 61.34 110.471 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HD2' ' O ' ' A' ' 23' ' ' TRP . 7.7 tmm_? -115.41 138.94 50.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.894 -0.78 . . . . 73.51 108.894 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.487 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 5.6 m-90 -76.0 176.61 7.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 73.55 111.749 -172.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.6 m 65.56 46.4 2.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.638 -0.71 . . . . 72.31 110.04 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.93 -21.5 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.366 -0.834 . . . . 71.42 111.632 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.65 -30.65 14.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.507 0.67 . . . . 75.02 110.407 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -65.77 -21.61 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.995 -1.002 . . . . 73.34 112.089 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -44.48 -34.77 2.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.561 0.744 . . . . 63.32 111.607 -176.268 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -54.5 -46.46 73.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.951 0.405 . . . . 71.34 110.966 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 5.3 mpt_? -81.7 -34.75 30.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 74.51 110.565 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 28' ' ' ARG . 61.5 t -62.38 -33.45 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.059 -0.519 . . . . 52.42 110.615 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 64.7 tp -56.65 -41.15 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.654 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.81 -35.4 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 63.34 110.781 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.58 -34.54 67.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.093 0.473 . . . . 73.04 110.105 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.623 HD12 HD12 ' A' ' 39' ' ' ILE . 46.9 tp -60.53 -52.71 64.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.6 -0.727 . . . . 75.51 110.863 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.7 pt-20 -70.07 -28.88 65.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 64.3 112.134 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.7 mt -84.09 -34.04 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.098 0.407 . . . . 72.31 112.098 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -101.82 -45.92 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.103 0.408 . . . . 72.51 112.103 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.623 HD12 HD12 ' A' ' 35' ' ' LEU . 57.2 mt -94.57 -33.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 75.11 111.545 -173.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.475 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 89.1 m-85 -122.0 54.26 5.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 121.118 -0.233 . . . . 73.34 111.309 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.21 -56.27 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.953 1.769 . . . . 61.52 112.978 -170.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -105.0 -2.65 24.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 64.33 111.132 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 56' ' ' LEU . 37.3 pt -119.6 12.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.284 -0.416 . . . . 63.43 111.672 -173.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -67.14 -14.17 63.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.048 -0.596 . . . . 74.23 112.858 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p -89.38 -0.79 57.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.847 0.356 . . . . 74.12 111.098 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -108.57 105.59 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 74.02 111.044 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.93 164.94 20.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 42.42 110.232 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.69 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 16.5 tt -73.28 -10.7 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.403 -0.362 . . . . 64.2 111.685 -173.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -51.27 -44.34 61.78 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.412 -0.588 . . . . 74.2 109.412 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.12 82.66 1.96 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.67 -0.863 . . . . 72.51 108.67 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -85.86 128.1 34.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.501 -0.772 . . . . 73.05 108.996 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -90.0 169.52 11.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.074 -0.512 . . . . 73.21 111.683 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -73.81 -162.31 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.553 -0.749 . . . . 74.25 111.912 -178.445 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 13.8 m -64.22 16.73 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.697 0.999 . . . . 73.11 113.697 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' THR . 35.3 m-70 -73.07 -31.11 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.23 -0.656 . . . . 73.13 109.23 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.819 ' HB2' HG21 ' A' ' 43' ' ' ILE . 4.6 pp -77.11 -14.64 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.456 -0.793 . . . . 75.13 110.518 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 54' ' ' SER . 2.0 tt -66.91 -28.97 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 64.32 111.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.741 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.43 -56.52 21.71 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.318 0.488 . . . . 75.24 112.318 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.741 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -60.94 -27.18 84.39 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.066 1.844 . . . . 54.02 113.2 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 63' ' ' VAL . 43.6 mm -71.49 -24.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.449 0.643 . . . . 52.41 110.114 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 9.4 tmtt? -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.573 -0.74 . . . . 64.0 110.352 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -69.17 -46.74 66.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.437 -0.347 . . . . 64.21 110.969 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 60' ' ' ILE . 11.4 p -70.16 -28.27 35.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 65.34 110.051 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 3.3 t70 -58.16 -57.61 12.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.658 -0.701 . . . . 74.2 110.703 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -72.79 -19.25 61.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 62.55 111.015 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -66.94 -15.71 63.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.875 -0.602 . . . . 74.51 111.143 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.53 -16.6 5.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.565 -0.826 . . . . 50.22 113.004 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.8 mmpt? -97.81 30.69 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.241 0.543 . . . . 75.23 110.194 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.6 p80 -48.41 -48.04 37.34 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.637 -1.165 . . . . 71.33 112.749 -176.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -72.56 -35.46 67.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 73.44 110.853 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.466 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 40.9 t -68.51 -41.97 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.124 -0.489 . . . . 64.13 110.331 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.09 91.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.618 . . . . 73.34 110.958 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 3.3 mm100 -59.62 -45.03 93.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.232 -0.44 . . . . 63.03 111.093 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -58.23 -32.9 68.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.724 -0.671 . . . . 71.54 111.367 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 79' ' ' VAL . 95.3 mt -65.9 -43.5 88.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.63 -0.259 . . . . 75.13 110.448 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HG3' ' HA ' ' A' ' 73' ' ' GLN . 13.6 mt-30 -61.8 -46.56 89.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.576 0.703 . . . . 75.41 109.697 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -20.39 65.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.283 -1.326 . . . . 74.01 111.589 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 82' ' ' ILE . 98.6 mtt180 -83.09 -41.55 18.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.601 -0.272 . . . . 74.44 110.3 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 75' ' ' LEU . 94.7 t -60.79 -41.31 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 72.12 110.754 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 31.4 p -60.27 -40.01 88.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 74.43 110.628 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.32 92.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.668 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.615 HG12 ' HE1' ' A' ' 16' ' ' TRP . 76.5 mt -59.79 -40.99 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.964 -0.562 . . . . 63.41 110.294 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 mmm -66.28 -34.66 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 73.33 111.283 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 80' ' ' THR . 9.3 mmm180 -65.69 -34.16 77.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.381 . . . . 70.24 110.061 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 5.9 t80 -73.59 -30.52 63.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 63.54 109.716 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.7 85.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 72.31 110.246 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 83' ' ' MET . 94.6 t -69.02 -27.02 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 33.2 110.574 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 85' ' ' TYR . 32.2 tt0 -57.35 -42.22 81.6 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.336 175.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.7 -15.82 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 54.23 109.983 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t70 44.03 76.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.718 1.207 . . . . 54.42 113.345 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -111.21 7.83 21.36 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.479 0.657 . . . . 73.41 109.688 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 pt -120.09 -39.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.386 -0.825 . . . . 75.45 111.897 -175.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 61.25 24.1 14.25 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.015 0.912 . . . . 73.4 110.868 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.4 m -147.49 137.97 23.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.872 -0.604 . . . . 60.12 110.082 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -112.74 86.37 8.63 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 116.361 -0.381 . . . . 74.31 111.243 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.45 0.94 9.62 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.189 . . . . 50.52 111.796 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.807 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . -104.0 6.31 36.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.686 -0.688 . . . . 34.22 111.106 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -68.37 -47.56 67.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.116 -0.493 . . . . 53.53 110.194 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -124.31 30.35 6.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 72.13 109.438 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.807 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.6 tmt? -58.09 -53.89 53.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.308 -0.86 . . . . 54.2 109.855 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.34 90.42 3.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.694 -0.684 . . . . 72.24 109.316 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.91 -176.91 50.06 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.698 -0.683 . . . . 73.03 113.081 -175.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.42 89.14 5.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.176 0.513 . . . . 72.02 111.132 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 pp -103.6 -4.85 23.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 62.04 110.773 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.0 t -90.14 -13.89 34.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.869 -0.605 . . . . 73.2 110.446 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.0 p -90.24 -169.14 2.32 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.195 0.522 . . . . 61.0 110.58 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.9 m -131.97 -69.49 0.6 Allowed 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.783 -0.644 . . . . 72.3 109.825 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -102.28 101.47 11.75 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.282 0.563 . . . . 75.31 110.764 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -101.59 -19.18 15.57 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.255 -0.884 . . . . 53.45 109.838 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -85.55 131.95 34.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.092 -0.958 . . . . 64.33 109.49 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -115.96 168.06 10.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.797 0.332 . . . . 73.04 110.808 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.7 115.21 18.05 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.072 -0.513 . . . . 74.32 110.397 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HG2' ' HG3' ' A' ' 115' ' ' GLU . 61.4 Cg_endo -74.23 -178.81 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.698 2.265 . . . . 74.32 111.257 174.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.61 -51.65 9.59 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.911 -0.316 . . . . 74.32 110.425 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.492 ' HG3' ' HG2' ' A' ' 113' ' ' PRO . 26.0 mt-10 61.52 19.6 10.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.705 -0.679 . . . . 63.33 111.329 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.03 11.36 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.501 0.667 . . . . 63.53 109.335 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -108.08 110.13 21.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.128 -0.942 . . . . 74.42 109.509 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -84.53 98.31 10.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.029 -0.36 . . . . 62.42 110.029 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -111.82 117.89 34.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.076 -0.511 . . . . 75.04 110.546 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -93.05 112.79 24.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.841 -0.618 . . . . 62.44 110.072 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.781 -0.628 . . . . 72.43 109.907 177.464 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.667 0.27 . . . . 71.52 110.337 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.883 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -74.7 139.13 43.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.825 -0.435 . . . . 75.22 109.825 174.577 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -68.79 124.43 23.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.085 -0.507 . . . . 65.31 111.482 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 m -124.98 35.0 4.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.558 -0.746 . . . . 64.11 109.235 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.98 51.7 3.54 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.389 -0.823 . . . . 71.42 113.351 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.57 133.38 44.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.672 -0.862 . . . . 65.34 108.672 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -88.37 98.17 11.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.174 0.511 . . . . 75.11 111.32 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -116.52 -168.86 1.52 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 53.42 109.753 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.504 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 53.5 t80 -69.58 -28.15 65.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.463 -0.569 . . . . 71.41 109.463 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.35 -45.3 73.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.725 -0.67 . . . . 64.21 110.416 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.72 -48.29 66.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 72.42 112.745 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.703 HD12 HD13 ' A' ' 48' ' ' ILE . 56.4 mt -69.71 -41.87 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 74.32 111.383 -175.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 60.41 110.414 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 50.3 ttt180 -69.13 -36.61 77.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.232 -0.894 . . . . 63.42 111.08 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -58.87 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.97 0.794 . . . . 73.01 111.693 -173.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -74.42 -24.88 59.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.464 -0.335 . . . . 73.02 111.2 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.93 -29.97 69.99 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.299 -0.251 . . . . 73.52 111.238 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 98.4 mt-10 -68.58 -18.22 64.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.761 0.315 . . . . 64.32 111.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 m -75.87 -15.38 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 62.22 110.375 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 8.0 t30 -95.44 -2.27 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.539 . . . . 72.11 109.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 71.7 mmtt 75.13 156.79 0.18 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.334 -0.848 . . . . 51.51 112.806 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 67.95 114.88 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 113.986 -1.461 . . . . 63.43 112.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 p90 -139.69 -55.19 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.297 -1.319 . . . . 74.32 109.589 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 39.7 t 58.76 115.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.245 0.966 . . . . 63.1 112.552 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.883 ' HG2' ' HB2' ' A' ' 2' ' ' GLU . 2.1 mp0 -68.93 -29.63 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 73.43 110.769 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.16 -48.82 32.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.398 0.618 . . . . 75.51 110.291 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -70.5 -24.63 62.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.753 . . . . 74.15 109.918 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HG3' HD13 ' A' ' 32' ' ' LEU . 18.4 tpt180 -46.51 -43.94 17.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.745 0.818 . . . . 65.55 112.83 -175.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 m -55.59 -32.63 63.23 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.189 0.519 . . . . 54.04 111.357 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 7.1 mpt_? -81.24 -37.79 28.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 64.22 109.945 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -65.24 -38.5 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 74.42 110.697 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD13 ' HG3' ' A' ' 28' ' ' ARG . 6.4 mp -62.95 -37.94 89.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 72.4 111.45 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -30.37 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.433 0.635 . . . . 71.23 109.475 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -69.73 -47.61 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.253 -0.885 . . . . 71.31 111.226 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 40' ' ' PHE . 3.2 pp -68.65 -20.94 64.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.271 0.471 . . . . 72.41 112.271 -175.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 50.8 mt-10 -70.35 -32.11 69.67 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.716 0.293 . . . . 62.42 111.272 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -103.31 -33.91 8.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.099 0.407 . . . . 70.02 112.099 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -96.26 -33.18 12.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.843 0.312 . . . . 72.1 111.843 -172.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.548 HG12 ' HA ' ' A' ' 35' ' ' LEU . 34.4 mm -97.22 -61.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.64 -0.424 . . . . 74.33 111.215 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 4.0 p90 -131.35 84.36 56.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.158 0.504 . . . . 74.23 111.425 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 12.6 Cg_exo -70.61 -56.28 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.789 2.326 . . . . 73.44 113.05 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -103.51 -9.79 19.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.87 -0.332 . . . . 72.22 111.564 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' HB2' ' A' ' 40' ' ' PHE . 28.8 pt -104.33 3.72 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.975 0.416 . . . . 71.42 110.857 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA3' ' HD1' ' A' ' 40' ' ' PHE . . . -87.35 4.31 86.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.935 -0.65 . . . . 54.02 111.758 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -96.33 12.77 29.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 74.21 110.533 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -126.26 148.69 49.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 71.42 110.073 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -82.22 153.1 26.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.126 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.703 HD13 HD12 ' A' ' 12' ' ' ILE . 18.9 tt -71.24 -13.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.548 . . . . 71.34 111.007 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.72 -24.39 67.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 74.41 110.278 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -127.35 78.55 1.82 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.605 0.717 . . . . 74.32 109.361 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -88.59 161.35 16.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.048 -0.978 . . . . 65.3 109.348 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' H ' HD13 ' A' ' 51' ' ' LEU . 74.3 mmtt -122.58 161.81 23.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.008 0.433 . . . . 74.25 111.081 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.444 ' HB ' ' H ' ' A' ' 54' ' ' SER . 2.3 p -75.71 -162.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.411 -0.813 . . . . 75.14 111.186 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.444 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.9 m -52.03 -12.27 0.21 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.678 0.992 . . . . 71.12 113.678 -174.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -58.24 -36.93 73.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.768 0.318 . . . . 71.22 110.315 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -74.3 -15.53 60.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.934 0.397 . . . . 74.2 111.131 -177.263 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.37 -20.16 55.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 51.33 110.935 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.73 -53.73 61.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 111.886 0.328 . . . . 64.41 111.886 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 54.9 Cg_exo -55.51 -44.85 44.36 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.159 1.906 . . . . 60.13 112.892 176.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.9 mm -67.96 -30.35 47.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.273 0.559 . . . . 74.41 110.56 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 61' ' ' LYS . 15.8 tptp -69.65 -25.77 64.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.753 . . . . 55.01 110.05 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.52 -49.65 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 70.14 110.056 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.35 -40.78 89.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.134 0.492 . . . . 74.43 109.968 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 68' ' ' LYS . 1.1 t70 -55.65 -58.32 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.086 -0.961 . . . . 71.52 111.48 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 m -78.41 -19.84 52.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.07 -0.514 . . . . 54.23 111.755 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -71.19 -32.2 68.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 61.2 110.392 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.09 -48.63 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.166 -1.016 . . . . 53.13 113.315 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.643 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -90.66 80.82 5.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.666 0.746 . . . . 73.42 111.61 -175.28 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -73.06 -53.48 10.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.452 -1.249 . . . . 71.04 111.469 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -61.35 -48.1 82.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.147 -0.933 . . . . 71.13 111.909 -168.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 68' ' ' LYS . 26.8 m -63.62 -36.7 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 73.35 111.42 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . . . -67.15 -43.94 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 42.41 110.677 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 10.2 mm-40 -62.49 -45.04 94.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.557 . . . . 64.5 110.797 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -62.55 -32.31 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.78 -0.646 . . . . 73.11 111.592 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 71' ' ' VAL . 5.4 mp -73.3 -49.37 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 64.51 111.396 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.509 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.8 pt20 -61.25 -43.31 99.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 71.52 111.276 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.14 -29.62 68.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.898 0.38 . . . . 75.21 111.042 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -69.28 -22.36 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.05 111.011 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.17 -35.06 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 62.4 110.943 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.3 p -60.98 -41.55 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 51.05 110.745 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -40.66 83.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.266 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.32 -45.63 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 54.53 110.514 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.532 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 10.7 mmt -58.81 -38.55 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 63.41 110.676 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -61.0 -45.67 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.35 110.937 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.17 -30.86 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.342 . . . . 73.14 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.02 72.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.855 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 83' ' ' MET . 99.8 t -79.04 -37.68 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 72.31 110.334 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 71.34 109.614 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.18 -7.22 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 63.1 110.373 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.04 65.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.005 -0.998 . . . . 51.25 111.978 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -109.56 -10.2 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 75.22 110.518 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.0 pt -122.45 169.53 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 42.33 109.975 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -103.67 -48.75 3.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.037 0.446 . . . . 74.12 111.174 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.536 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 10.0 m -98.53 166.06 11.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 73.42 111.212 -173.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -110.25 86.14 4.98 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.553 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 94' ' ' SER . 18.0 Cg_endo -94.38 -169.42 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.315 2.677 . . . . 73.52 112.455 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 83' ' ' MET . . . 58.49 82.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.433 -0.803 . . . . 62.24 112.211 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -138.4 -47.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.459 . . . . 61.21 109.952 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.43 32.5 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.813 0.816 . . . . 72.34 110.388 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -120.56 9.59 10.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 74.13 109.671 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.91 -177.87 6.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.059 -0.973 . . . . 44.54 109.585 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.09 -131.04 6.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.715 -0.755 . . . . 73.31 111.958 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.15 -27.73 9.91 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.602 -0.148 . . . . 61.32 110.602 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.728 ' HG ' ' H ' ' A' ' 105' ' ' SER . 0.5 OUTLIER 38.69 -79.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.702 1.601 . . . . 71.12 114.365 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.728 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 18.1 m -80.23 -5.61 56.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.419 -0.355 . . . . 65.5 111.74 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -113.35 115.74 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.771 0.319 . . . . 72.43 110.427 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.4 p -138.85 130.08 26.93 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.825 -0.625 . . . . 74.12 110.921 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.467 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -142.42 139.66 31.71 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.157 -0.683 . . . . 72.13 109.157 177.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -135.03 -26.74 1.29 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.311 -0.404 . . . . 73.14 111.545 -177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -74.86 163.35 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.692 -0.231 . . . . 74.3 110.791 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.4 m170 72.07 97.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.867 0.729 . . . . 72.4 112.123 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -118.21 93.98 45.94 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.082 -0.71 . . . . 71.22 109.082 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.83 128.31 10.76 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.76 2.307 . . . . 63.14 111.923 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.09 -43.13 99.37 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.561 -0.903 . . . . 74.14 108.561 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 55.35 34.96 23.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 114.745 -1.116 . . . . 73.32 111.128 172.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -105.44 104.89 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 74.12 110.109 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -116.24 102.55 9.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.229 -0.656 . . . . 72.31 109.229 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -87.56 133.31 33.81 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.697 -0.683 . . . . 54.32 109.971 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.44 108.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.107 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -122.08 104.01 9.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.044 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.631 -0.7 . . . . 71.53 109.982 177.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.598 -0.519 . . . . 73.41 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 66.91 84.9 0.15 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.569 0.699 . . . . 62.24 109.398 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -81.82 115.02 20.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.311 -0.859 . . . . 75.0 110.632 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.434 ' HA ' HG22 ' A' ' 8' ' ' THR . 1.8 t -133.57 103.72 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 75.45 109.572 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.63 -109.85 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.027 -0.606 . . . . 62.25 111.599 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.76 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.386 0.612 . . . . 71.21 110.242 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -145.3 138.09 26.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.206 -0.906 . . . . 75.04 109.461 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.764 ' H ' ' HB ' ' A' ' 11' ' ' THR . 77.8 p -129.41 -164.57 1.42 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.342 -0.845 . . . . 54.11 109.385 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.746 ' HA ' HD12 ' A' ' 48' ' ' ILE . 47.5 t80 -63.67 -49.51 72.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 73.14 110.747 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -75.88 -35.76 59.74 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 116.414 -0.357 . . . . 62.4 110.367 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.764 ' HB ' ' H ' ' A' ' 8' ' ' THR . 56.1 m -62.14 -35.42 78.7 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.836 0.68 . . . . 64.44 112.836 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.717 HD12 HD13 ' A' ' 48' ' ' ILE . 58.2 mt -72.37 -37.24 57.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 121.924 -0.485 . . . . 72.44 110.446 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.58 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.081 0.467 . . . . 64.51 110.0 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.796 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 4.7 tpp180 -52.31 -31.49 33.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.302 1.041 . . . . 55.41 112.152 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.71 -57.19 11.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.368 -0.833 . . . . 75.53 109.966 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.652 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 53.8 p-90 -81.48 -30.14 33.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.078 0.466 . . . . 73.54 111.091 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.796 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 17.1 t-160 -62.54 -27.9 69.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.905 0.705 . . . . 74.44 112.905 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.642 ' OE1' ' HD2' ' A' ' 14' ' ' ARG . 12.2 tp10 -65.49 -3.51 4.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.955 0.407 . . . . 51.14 111.681 -176.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -66.29 -28.54 68.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.482 -0.326 . . . . 44.22 111.532 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 69.59 156.92 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.913 0.485 . . . . 70.31 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -89.26 -40.94 12.48 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.158 0.429 . . . . 73.31 112.158 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -159.95 165.67 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.573 -0.529 . . . . 73.03 109.573 -174.631 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.46 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 11.4 m-90 -62.18 90.73 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.471 0.653 . . . . 70.11 111.507 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.6 m -163.27 38.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.953 -1.128 . . . . 65.3 107.953 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -49.9 -53.2 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.881 -1.054 . . . . 62.23 111.891 -169.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.17 -46.39 75.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.847 -0.615 . . . . 71.12 111.447 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -75.73 -42.66 49.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.843 -0.617 . . . . 72.24 111.589 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.19 -24.61 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.545 0.202 . . . . 53.24 111.545 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -70.58 -41.97 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 72.21 110.563 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -82.27 -33.99 28.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.589 -0.278 . . . . 51.01 110.874 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 69.6 t -65.51 -38.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.615 -0.266 . . . . 65.04 111.01 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.73 -24.19 8.23 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.615 0.572 . . . . 74.32 111.927 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 33' ' ' ARG . 35.9 ttt180 -50.75 -31.05 15.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 64.15 111.7 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 31' ' ' VAL . 3.2 p90 -54.75 -25.86 30.52 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.898 -0.592 . . . . 75.52 111.614 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD12 HG13 ' A' ' 39' ' ' ILE . 41.7 tp -56.25 -42.82 77.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.779 0.323 . . . . 71.31 111.319 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.78 -32.66 74.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 74.42 111.68 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -103.47 -41.07 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.359 0.504 . . . . 60.21 112.359 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -76.97 -37.0 56.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.37 -0.377 . . . . 73.43 111.097 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.514 HD11 ' HG ' ' A' ' 75' ' ' LEU . 48.0 mm -99.2 -29.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 74.02 111.269 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.417 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 64.0 m-85 -120.36 61.22 8.11 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.841 -0.344 . . . . 75.12 111.434 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.4 -56.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.342 1.361 . . . . 72.05 112.396 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -105.97 -21.04 13.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.273 0.558 . . . . 63.35 110.41 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.3 pt -94.09 16.22 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.619 -0.719 . . . . 74.33 112.161 -171.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -62.5 -9.21 23.56 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.248 -0.501 . . . . 75.32 113.403 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -87.19 7.49 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.786 0.327 . . . . 64.13 111.01 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -73.84 143.26 45.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.499 . . . . 62.53 111.778 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -99.65 134.66 42.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.211 -0.904 . . . . 73.51 109.189 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 9' ' ' PHE . 12.8 tt -75.72 -21.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.703 0.764 . . . . 75.42 109.806 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.718 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 7.0 ttp85 -78.33 -20.55 51.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.398 -0.819 . . . . 70.34 109.639 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -138.05 80.12 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.96 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 52' ' ' LYS . 1.4 tm? -82.31 138.34 34.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.449 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HD3' ' NE2' ' A' ' 55' ' ' HIS . 89.7 mttt -104.08 171.83 7.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.34 0.591 . . . . 74.03 112.572 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -73.0 -172.69 1.09 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.597 -0.729 . . . . 63.42 111.348 -177.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.693 ' H ' HG22 ' A' ' 53' ' ' THR . 4.5 p -71.99 16.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.89 1.07 . . . . 74.05 113.89 -169.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 52' ' ' LYS . 34.4 p80 -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.041 -0.664 . . . . 71.01 109.591 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' ' 43' ' ' ILE . 4.6 pp -76.9 -15.18 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.584 -0.735 . . . . 62.14 110.837 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.49 -13.49 59.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 75.35 111.226 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 59' ' ' PRO . . . -48.54 -54.41 26.72 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.047 0.758 . . . . 52.05 113.047 -177.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -61.27 -29.01 85.5 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.905 1.737 . . . . 64.14 113.426 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 59' ' ' PRO . 3.4 mp -72.29 -25.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.317 0.579 . . . . 74.41 109.454 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.743 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 1.3 mmmp? -69.98 -25.64 63.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.625 0.726 . . . . 73.23 110.297 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.41 -49.03 79.37 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.55 -1.205 . . . . 63.41 110.56 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 68' ' ' LYS . 10.1 p -77.93 -28.51 15.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.215 0.531 . . . . 71.22 110.236 177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.743 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -55.97 -52.28 64.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 43.51 110.859 175.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.6 m -73.34 -14.57 61.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 64.01 111.305 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.9 m -71.04 -18.44 62.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.436 -0.347 . . . . 61.42 110.979 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.28 -1.88 14.31 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.577 -0.821 . . . . 53.24 113.039 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.789 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.8 mmpt? -105.14 24.23 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.327 0.584 . . . . 75.11 110.442 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -59.34 -25.45 64.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.093 -0.958 . . . . 74.14 112.92 -175.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.8 t70 -61.65 -54.03 48.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.793 0.27 . . . . 61.24 111.213 -176.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.9 m -69.13 -34.48 63.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 54.42 110.899 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.93 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.073 0.463 . . . . 74.5 110.271 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 16.9 tt0 -62.53 -45.05 94.72 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.668 -0.696 . . . . 72.22 110.659 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 24.5 mmt180 -49.24 -42.4 40.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.183 -0.917 . . . . 71.42 111.031 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 39' ' ' ILE . 4.3 mm? -73.57 -48.14 35.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 74.01 111.97 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -66.15 -35.24 79.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.192 0.52 . . . . 65.42 111.293 -176.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -65.16 -34.78 79.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.681 -0.69 . . . . 64.14 109.945 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' O ' HG13 ' A' ' 82' ' ' ILE . 8.2 tpp180 -75.55 -30.82 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.051 -0.522 . . . . 52.32 110.471 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 75' ' ' LEU . 84.0 t -58.83 -42.56 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 121.315 0.579 . . . . 51.22 109.522 172.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.4 m -65.7 -34.25 77.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.343 -0.844 . . . . 65.1 110.462 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . . . -67.63 -34.32 76.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.733 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.652 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 77.3 mt -61.5 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 72.43 109.958 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.595 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.7 mmt -56.64 -34.65 67.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 72.44 111.07 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -57.43 -45.1 85.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 74.51 111.047 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -77.32 -28.78 53.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 74.33 110.905 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.29 90.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.116 0.484 . . . . 72.43 110.413 173.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 83' ' ' MET . 97.7 t -60.62 -28.58 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.922 -0.581 . . . . 74.23 110.874 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -60.01 -32.02 70.48 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.006 0.431 . . . . 72.24 110.756 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.648 ' HB3' ' HD1' ' A' ' 91' ' ' TYR . 2.4 t30 -88.71 -6.37 57.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.07 -0.513 . . . . 75.33 110.806 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 63.97 10.89 5.65 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.522 -0.763 . . . . 63.53 112.999 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.718 ' HE2' ' HA ' ' A' ' 49' ' ' ARG . 43.2 p90 -78.34 -26.81 46.92 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.129 -0.628 . . . . 65.44 111.617 -173.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 91' ' ' TYR . 11.3 pt -89.81 -28.51 5.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 120.987 -0.285 . . . . 74.22 111.431 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 70.27 -60.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.908 0.755 . . . . 52.12 112.068 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 t -83.64 175.03 10.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.752 0.311 . . . . 72.42 110.399 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -115.59 87.52 17.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 53.22 110.397 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -79.45 -175.85 2.95 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.554 2.169 . . . . 71.13 111.89 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.7 18.84 7.56 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.529 -0.759 . . . . 65.31 111.622 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 p -67.71 -26.85 66.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.103 -0.499 . . . . 42.11 111.763 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.29 -12.01 57.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 73.23 111.217 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.0 mmt -57.16 -51.23 70.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.173 0.511 . . . . 70.31 110.954 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.03 16.49 17.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.955 -0.566 . . . . 62.03 110.808 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.98 4.73 6.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.637 -0.792 . . . . 61.33 112.127 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.74 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.647 0.24 . . . . 73.35 111.647 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 1.6 pt? -138.12 104.26 5.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.393 0.616 . . . . 74.05 111.242 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -148.67 -70.11 0.21 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.37 -0.974 . . . . 33.31 108.37 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -101.05 93.77 5.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.141 -0.689 . . . . 74.05 109.141 170.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.4 p -82.25 119.93 24.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.409 0.623 . . . . 75.24 112.341 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -85.79 147.31 26.37 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.213 -0.903 . . . . 74.24 109.066 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.67 -51.63 3.85 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.784 -0.644 . . . . 73.1 110.394 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.34 90.64 8.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.566 -0.531 . . . . 72.32 109.566 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.27 93.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.755 0.788 . . . . 72.45 110.889 173.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.468 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 75.8 m-85 -124.2 128.49 25.02 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.577 -0.738 . . . . 72.11 110.268 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.497 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 22.6 Cg_exo -64.64 -77.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.858 2.372 . . . . 71.43 112.734 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 4.1 tt 170.07 80.82 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.27 -1.011 . . . . 75.04 108.27 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -47.91 110.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.609 -0.723 . . . . 73.12 110.678 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -88.3 101.37 13.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.649 . . . . 70.44 110.318 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -97.33 159.91 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 72.15 111.025 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -133.03 163.49 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 74.33 109.823 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -80.34 79.04 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.153 0.501 . . . . 73.13 110.15 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -150.17 165.96 31.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.081 -0.963 . . . . 74.53 109.284 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 22.0 p80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.701 -0.666 . . . . 63.21 109.567 178.764 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.289 -0.263 . . . . 63.51 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.28 -51.19 21.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 74.41 110.661 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -68.41 117.94 10.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.124 -0.489 . . . . 61.24 110.502 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 t -126.13 -4.35 6.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.854 -0.612 . . . . 43.22 110.058 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 151.01 20.8 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.742 -0.742 . . . . 41.22 112.214 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 68.48 90.89 0.09 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 123.269 0.627 . . . . 73.01 111.507 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.515 ' HE2' ' HG3' ' A' ' 49' ' ' ARG . 9.6 p90 -100.09 74.94 1.81 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.305 1.05 . . . . 70.42 109.99 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -91.95 165.34 13.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.375 -0.83 . . . . 73.34 109.997 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 13.2 p90 -66.8 -24.58 66.2 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.533 -0.543 . . . . 73.52 109.533 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.69 -44.37 66.21 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.566 -0.743 . . . . 74.45 110.862 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.31 -41.71 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 75.32 110.543 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.4 HG13 HD12 ' A' ' 48' ' ' ILE . 51.7 mm -68.42 -38.22 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 71.4 110.431 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.26 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 70.5 111.374 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -65.14 -28.95 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.487 -0.324 . . . . 73.23 110.927 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -59.66 4.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.547 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HE1' HD13 ' A' ' 82' ' ' ILE . 39.4 p-90 -80.1 -29.33 39.01 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.871 -0.332 . . . . 72.24 111.616 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.44 -28.64 68.05 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.362 0.504 . . . . 65.01 112.362 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG2' ' HD3' ' A' ' 28' ' ' ARG . 19.2 tt0 -72.29 -7.41 49.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.698 0.285 . . . . 62.12 111.725 -173.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 64.01 110.501 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.46 -176.95 0.21 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.77 -0.65 . . . . 75.34 111.715 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -106.27 -46.01 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.402 -0.962 . . . . 65.43 108.402 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 88.78 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.162 -1.421 . . . . 73.44 107.162 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -52.36 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.133 0.896 . . . . 70.23 112.672 -169.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.445 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 15.0 m -156.1 137.23 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 62.32 109.284 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.2 pm0 -69.27 -26.79 64.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.343 -0.39 . . . . 62.24 111.722 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.89 -30.78 67.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.969 0.414 . . . . 70.12 110.309 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 38.4 m170 -71.7 -28.34 63.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 71.32 110.723 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 83.6 mtt180 -56.53 -45.71 81.0 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 123.418 0.449 . . . . 73.32 110.702 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -62.92 -33.64 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 71.03 111.036 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -76.93 -48.9 16.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.526 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.02 -16.46 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 74.45 111.454 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 1.3 tm? -66.3 -47.12 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.389 -0.597 . . . . 75.3 109.389 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -29.87 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.075 -0.511 . . . . 73.52 109.945 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -64.57 -37.79 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 74.14 109.873 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.543 HD12 ' HB ' ' A' ' 39' ' ' ILE . 49.0 tp -58.63 -46.34 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.365 -0.834 . . . . 71.22 110.524 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.35 -34.38 68.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 73.44 112.197 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -95.35 -41.39 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.536 0.569 . . . . 73.52 112.536 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -96.09 -11.81 25.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.811 0.339 . . . . 75.51 111.593 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 35' ' ' LEU . 46.6 mt -135.25 122.56 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-O 121.512 0.672 . . . . 73.21 111.105 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.507 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.1 m-85 71.42 54.12 0.38 Allowed Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 114.382 -1.281 . . . . 75.23 112.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 14.9 Cg_exo -68.44 -51.68 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 121.922 1.748 . . . . 74.12 112.459 -176.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -103.12 -2.02 28.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 63.22 111.926 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 56' ' ' LEU . 33.0 pt -127.8 11.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.763 0.653 . . . . 54.01 112.763 -170.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -97.14 10.16 65.55 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.078 -1.058 . . . . 44.14 113.519 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 p -107.72 4.36 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.081 0.4 . . . . 73.13 112.081 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -99.24 148.47 24.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 71.23 112.188 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.8 163.73 21.14 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.512 -0.767 . . . . 64.4 110.252 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' A' ' 86' ' ' ALA . 18.7 tt -75.51 -28.31 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 111.95 0.352 . . . . 61.11 111.95 -175.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG3' ' HE2' ' A' ' 7' ' ' TYR . 46.2 mtt180 -72.52 -21.33 61.2 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.01 -0.276 . . . . 65.44 111.338 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -114.11 72.26 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.877 0.846 . . . . 60.01 109.481 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB3' ' HG2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -90.88 137.71 32.15 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.725 -1.125 . . . . 74.1 109.194 -179.451 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.901 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.6 mmtp -85.37 164.94 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 70.4 110.563 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -90.9 -161.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.021 -0.536 . . . . 74.43 109.614 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.642 ' H ' HG22 ' A' ' 53' ' ' THR . 16.1 m -59.29 -0.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.129 0.789 . . . . 71.34 113.129 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -58.32 -34.86 71.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.033 0.444 . . . . 71.54 110.195 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.0 pp -77.37 -14.71 59.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 64.43 111.162 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HB ' ' A' ' 60' ' ' ILE . 64.5 tp -78.22 -18.94 54.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 64.04 110.911 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -54.61 -53.05 64.46 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.243 0.46 . . . . 75.23 112.243 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.3 Cg_exo -61.63 -35.32 81.47 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.119 1.88 . . . . 72.32 112.634 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.519 ' HB ' HD12 ' A' ' 57' ' ' LEU . 45.2 mm -71.59 -24.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.471 0.653 . . . . 74.51 109.976 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 5.0 tmtm? -65.71 -26.51 67.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.254 -0.885 . . . . 73.53 109.934 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.84 -28.84 67.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.941 -0.572 . . . . 73.12 110.268 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.9 -39.92 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 73.14 111.031 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 61' ' ' LYS . 2.8 p30 -75.51 -40.17 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.69 -0.404 . . . . 63.23 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.9 m -73.8 -52.86 11.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.815 0.34 . . . . 72.45 111.389 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -91.02 15.6 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.759 -0.201 . . . . 71.01 111.479 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.46 -132.17 1.37 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.319 -0.944 . . . . 64.23 113.036 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.576 ' N ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -88.18 91.81 8.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.665 0.269 . . . . 75.05 110.936 -175.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 64' ' ' ASP . 5.2 p-80 -66.48 -26.64 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 74.31 110.768 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 10.5 t70 -64.39 -52.3 58.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 72.25 110.048 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.4 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.9 t -73.52 -39.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.406 -0.816 . . . . 72.11 111.345 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.35 77.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.629 0.233 . . . . 70.34 111.629 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.327 0.584 . . . . 71.55 110.182 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 48.1 mtt180 -58.0 -44.05 86.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.544 -0.753 . . . . 70.05 110.086 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 83.7 mt -72.33 -30.22 64.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.394 -0.821 . . . . 64.53 112.695 -174.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.33 -36.84 68.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.536 -0.466 . . . . 71.14 111.148 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -56.76 -17.88 10.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.632 -0.713 . . . . 73.42 112.626 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.0 ptt-85 -50.42 -34.21 23.69 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.223 0.453 . . . . 75.43 112.223 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HB ' ' SD ' ' A' ' 100' ' ' MET . 19.4 t -72.11 -33.61 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.414 -0.357 . . . . 74.14 110.676 -176.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.2 m -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.234 0.54 . . . . 73.42 109.936 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.49 ' O ' ' HD1' ' A' ' 85' ' ' TYR . . . -64.86 -45.1 87.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.893 -0.594 . . . . 73.51 109.899 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.429 HD13 ' HE1' ' A' ' 16' ' ' TRP . 35.8 mm -53.11 -44.82 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.969 -0.559 . . . . 74.42 110.254 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.675 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -58.05 -38.57 76.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.121 -0.945 . . . . 54.45 111.194 -177.135 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -70.37 -50.97 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 74.2 111.173 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.49 ' HD1' ' O ' ' A' ' 81' ' ' ALA . 65.1 m-85 -60.18 -30.37 69.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.974 0.416 . . . . 75.54 110.981 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -66.62 -35.29 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 62.41 111.306 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.82 -40.95 21.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.974 0.416 . . . . 74.22 110.089 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.66 -31.48 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 75.44 111.617 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -113.46 10.06 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.668 0.247 . . . . 64.13 111.668 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.27 73.06 0.41 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.594 0.59 . . . . 72.45 112.594 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -110.74 -45.11 3.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.672 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 94' ' ' SER . 25.6 pt -103.56 159.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.387 0.514 . . . . 74.12 112.387 -169.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -112.95 5.53 17.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.81 -0.632 . . . . 71.14 110.518 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.498 ' O ' HD12 ' A' ' 92' ' ' ILE . 33.7 t -154.55 154.29 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 62.24 109.807 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -119.73 85.21 32.81 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.816 0.341 . . . . 75.33 110.899 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.675 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 11.9 Cg_exo -72.17 -44.64 0.8 Allowed 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.835 2.356 . . . . 70.42 113.136 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.32 33.57 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -60.49 -43.28 97.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 51.0 110.213 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -101.71 -69.75 0.77 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.719 -0.673 . . . . 74.33 109.615 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.411 ' SD ' ' HB ' ' A' ' 79' ' ' VAL . 26.9 ttt 72.01 -54.31 0.68 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.932 0.77 . . . . 54.41 112.532 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.29 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.263 0.352 . . . . 5.21 111.842 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.51 -110.29 3.22 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.111 -0.566 . . . . 72.1 112.043 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.41 107.84 10.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.715 0.293 . . . . 52.15 110.654 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.42 -60.54 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.686 -0.688 . . . . 63.31 109.608 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.5 t -161.44 -59.45 0.05 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.239 -0.652 . . . . 73.23 109.239 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.3 p -135.7 116.49 14.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 73.34 110.131 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 p -83.76 -39.23 20.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.488 . . . . 74.11 109.954 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 108' ' ' LYS . 3.6 ttpt -131.62 129.98 41.56 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.537 -0.756 . . . . 72.33 109.88 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -157.28 -73.8 0.09 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.963 -0.384 . . . . 61.24 109.963 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 110' ' ' ARG . 34.7 ttt180 -168.16 123.4 0.98 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 73.31 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -144.62 -56.76 0.35 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.67 -0.696 . . . . 70.13 109.508 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -150.94 153.47 33.22 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.334 -0.848 . . . . 75.4 109.876 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.564 ' HG2' ' HB2' ' A' ' 116' ' ' HIS . 48.7 Cg_endo -69.77 -167.05 0.21 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.6 2.2 . . . . 55.33 112.532 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.498 HD12 ' HG2' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -78.8 -59.17 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 72.22 109.558 -177.537 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.498 ' HG2' HD12 ' A' ' 114' ' ' LEU . 56.8 mm-40 -117.54 101.11 8.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.832 -0.622 . . . . 72.31 111.048 -178.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.564 ' HB2' ' HG2' ' A' ' 113' ' ' PRO . 11.3 t60 -152.43 26.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.823 -0.806 . . . . 74.14 108.823 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -137.83 90.4 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.811 -1.086 . . . . 62.1 108.419 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -100.18 142.2 31.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.401 -0.818 . . . . 71.4 111.526 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -159.17 148.42 18.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.701 . . . . 73.04 110.485 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -167.34 142.47 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.292 -0.633 . . . . 71.33 109.292 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 39.6 m80 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.322 -0.847 . . . . 73.13 109.574 176.703 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.059 -0.349 . . . . 70.25 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.6 -49.58 75.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 64.25 111.057 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -126.28 96.75 4.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.095 -0.502 . . . . 74.14 109.939 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.5 p -130.39 107.64 9.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.264 -0.426 . . . . 62.14 110.856 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.458 ' HA3' ' OG1' ' A' ' 8' ' ' THR . . . -105.9 134.79 12.28 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.727 -0.749 . . . . 65.14 111.867 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.41 -49.97 8.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.775 0.322 . . . . 63.52 111.257 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -89.53 13.22 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 75.21 110.703 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.458 ' OG1' ' HA3' ' A' ' 5' ' ' GLY . 99.9 m -71.56 129.29 38.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 64.33 111.054 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.898 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.3 t80 -55.49 -48.42 74.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.988 0.423 . . . . 64.35 110.768 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.58 -32.94 67.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 73.43 111.349 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -70.83 -39.37 73.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 73.54 110.622 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.44 -33.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 73.12 110.144 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.81 69.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 61.21 111.107 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -66.5 -30.55 70.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 71.3 111.003 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -57.57 10.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.628 -0.715 . . . . 73.32 110.934 -174.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 56.4 p-90 -79.2 -35.13 42.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 73.01 111.788 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -69.07 -23.82 64.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.941 0.348 . . . . 71.02 111.941 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -52.7 -25.98 12.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.037 0.535 . . . . 65.23 111.585 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -58.84 -23.03 60.11 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.107 -0.497 . . . . 75.35 111.248 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -120.66 23.11 10.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.879 0.371 . . . . 54.34 111.342 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 47.7 mmtt -141.99 173.5 11.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.815 0.34 . . . . 73.31 111.237 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 7.8 mpt_? -125.63 160.89 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 64.0 109.238 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 m-90 -68.92 89.5 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.439 0.462 . . . . 72.05 111.573 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 m -143.99 100.29 3.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.616 -0.72 . . . . 64.34 109.55 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.72 -30.57 70.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.395 . . . . 71.31 111.835 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.32 -44.23 96.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.02 0.438 . . . . 74.15 110.324 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -64.32 -41.76 96.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.758 -0.656 . . . . 64.13 109.254 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 64.4 ttt-85 -57.58 -47.4 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 73.25 110.869 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -65.04 -36.99 86.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.106 0.41 . . . . 70.44 112.106 -176.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 30' ' ' ARG . 67.1 mtt180 -81.28 -43.37 19.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.617 0.229 . . . . 74.33 111.617 -176.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.28 -26.81 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 35.31 110.239 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 10.6 tt -57.73 -37.34 73.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.549 176.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.85 -41.96 82.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 71.23 110.04 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.8 -44.02 94.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.34 109.777 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD12 HG13 ' A' ' 39' ' ' ILE . 51.5 tp -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.408 -0.815 . . . . 44.31 110.556 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.36 -55.13 34.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 74.44 111.628 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.38 -26.03 66.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.646 0.61 . . . . 75.13 112.646 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -104.81 -36.58 7.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.473 0.546 . . . . 73.5 112.473 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.516 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 48.8 mm -95.3 -32.76 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.911 -0.316 . . . . 74.13 111.452 -175.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m-85 -125.47 54.53 10.13 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 121.042 -0.263 . . . . 73.05 111.352 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 10.5 Cg_exo -70.15 -56.48 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.674 1.583 . . . . 64.34 112.519 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -105.5 -2.29 23.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 53.22 111.355 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.8 pt -112.56 13.68 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 111.707 0.262 . . . . 75.33 111.707 -174.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.25 -4.54 37.19 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.198 -0.525 . . . . 65.23 113.565 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 m -86.46 -1.07 57.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.977 0.388 . . . . 70.53 110.949 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -82.89 134.87 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.407 -0.36 . . . . 63.32 110.587 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.26 142.92 30.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.969 -0.752 . . . . 75.41 108.969 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.898 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 14.8 tt -58.78 -20.35 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 112.62 0.6 . . . . 75.41 112.62 -174.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -67.56 -21.7 65.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.806 0.336 . . . . 71.24 111.168 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -146.21 83.59 1.62 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.625 0.726 . . . . 73.01 109.871 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.626 HD13 ' H ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -77.82 150.11 34.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.977 -1.011 . . . . 71.53 109.004 178.265 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 56' ' ' LEU . 97.5 mttt -94.43 170.41 9.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.128 0.49 . . . . 64.42 111.826 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.774 HG22 ' H ' ' A' ' 54' ' ' SER . 2.5 m -73.92 -179.39 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.015 178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.774 ' H ' HG22 ' A' ' 53' ' ' THR . 3.4 m -68.01 12.57 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.547 0.943 . . . . 72.24 113.547 -172.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -74.8 -25.98 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 72.22 109.94 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 52' ' ' LYS . 3.6 pp -67.82 -13.69 62.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.685 -0.689 . . . . 73.4 111.638 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HG ' ' HG2' ' A' ' 61' ' ' LYS . 55.8 tp -72.94 -17.71 61.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.368 -0.378 . . . . 74.11 111.984 -176.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.12 -52.07 65.64 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.869 0.692 . . . . 51.23 112.869 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.619 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 71.0 Cg_exo -50.39 -48.82 18.53 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.508 2.139 . . . . 74.42 113.326 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 60' ' ' ILE . 4.1 mp -64.34 -31.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.31 0.576 . . . . 72.11 110.349 -178.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 58.5 mmtt -69.14 -24.41 64.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 74.14 112.054 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.39 -47.41 79.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.279 -0.419 . . . . 75.45 110.263 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.62 HG12 ' HB2' ' A' ' 68' ' ' LYS . 19.9 t -77.17 -34.23 21.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.409 0.624 . . . . 61.44 109.947 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.613 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.5 t70 -54.45 -54.25 43.28 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.974 -1.012 . . . . 75.42 111.177 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -64.87 -23.76 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.698 -0.683 . . . . 53.02 112.124 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.5 m -71.68 -11.52 60.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.838 0.351 . . . . 72.4 110.856 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.93 -11.21 7.82 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.782 -0.723 . . . . 64.31 112.372 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.958 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.6 mmpt? -87.01 22.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.261 0.553 . . . . 73.13 111.322 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 4.2 p-80 -61.05 -14.37 23.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.391 -0.822 . . . . 75.21 111.794 176.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.07 -50.37 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.224 -0.287 . . . . 43.34 110.224 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.32 -37.36 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 54.11 110.779 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.568 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . . . -60.13 -57.25 13.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 64.14 111.938 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.3 tp60 -57.88 -47.09 83.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 70.01 110.883 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -49.33 72.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.26 -0.882 . . . . 73.03 111.742 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.98 -35.21 64.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.111 0.412 . . . . 61.24 112.111 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.3 pp0? -70.63 -44.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.277 . . . . 72.12 111.076 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -66.43 -19.02 65.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.11 0.481 . . . . 72.0 110.735 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -64.65 -27.37 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 64.05 111.394 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 76' ' ' GLN . 7.4 p -64.89 -31.8 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.906 0.384 . . . . 64.41 110.72 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.2 m -61.17 -31.05 70.79 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.015 0.436 . . . . 73.22 110.466 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.75 61.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 42.31 110.383 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.5 -35.04 68.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.864 -0.607 . . . . 75.42 109.957 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.558 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 10.9 mmt -60.33 -33.03 71.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.677 -0.692 . . . . 73.13 111.449 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -68.35 -31.34 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.75 0.309 . . . . 64.12 110.992 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 16' ' ' TRP . 19.1 m-85 -73.09 -29.57 63.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 65.21 110.417 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.87 75.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.071 -0.513 . . . . 65.2 110.052 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 83' ' ' MET . 92.4 t -66.78 -36.07 76.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.306 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.682 . . . . 73.12 110.167 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -95.29 5.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 73.41 111.098 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.4 t70 53.21 39.02 29.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.922 0.868 . . . . 52.43 110.439 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.611 ' HE2' HG23 ' A' ' 48' ' ' ILE . 8.6 t80 -87.39 -20.14 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.309 -0.86 . . . . 73.3 110.905 -174.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.5 pt -117.01 154.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 75.24 110.646 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.17 -31.39 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.362 0.601 . . . . 73.13 110.198 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.9 m -110.16 162.27 14.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.012 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -118.17 86.28 26.36 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.904 0.383 . . . . 64.45 110.763 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.72 -175.38 2.26 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.518 2.145 . . . . 75.42 111.861 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.2 12.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.157 -0.474 . . . . 62.43 111.459 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -89.31 -17.51 28.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.92 0.39 . . . . 54.44 110.674 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -125.24 68.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.445 0.641 . . . . 73.3 110.659 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.78 13.62 18.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.928 -0.578 . . . . 73.13 110.239 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.12 114.19 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.565 -0.743 . . . . 64.23 110.194 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -151.25 -44.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.711 -0.757 . . . . 65.32 112.341 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -133.34 111.64 10.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 63.23 110.773 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -132.68 -71.92 0.52 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.576 -0.738 . . . . 62.11 109.18 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -137.99 -76.7 0.38 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.997 -0.547 . . . . 43.34 110.013 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -143.85 121.25 11.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 55.44 110.55 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -160.46 151.19 18.61 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.555 -0.906 . . . . 71.1 108.555 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -138.72 120.72 15.58 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.122 -0.696 . . . . 62.43 109.122 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.87 31.58 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.331 -0.849 . . . . 75.42 108.964 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -61.92 149.25 41.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.42 -0.809 . . . . 62.41 111.763 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -88.89 93.77 9.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.039 -0.982 . . . . 71.35 111.08 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -109.86 101.62 47.59 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.726 . . . . 71.4 109.878 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.77 166.44 11.65 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.806 2.337 . . . . 75.13 112.127 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 tp -167.06 59.38 0.08 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.392 -0.822 . . . . 65.54 109.377 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 53.55 -102.26 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.829 -1.078 . . . . 64.22 112.047 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.25 67.77 7.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.393 0.616 . . . . 74.44 110.123 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -150.19 89.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.329 -0.851 . . . . 75.42 109.785 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -127.88 108.64 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.053 -0.522 . . . . 72.21 109.718 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -102.57 113.41 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 71.44 111.501 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -87.28 143.19 27.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.654 -0.703 . . . . 73.34 109.278 173.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.1 p80 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.557 -0.735 . . . . 73.31 110.172 178.597 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.663 0.268 . . . . 65.44 110.677 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 50.39 -101.42 0.09 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.373 -0.831 . . . . 73.05 112.247 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -175.54 111.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 64.31 109.326 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 m -67.81 -42.71 81.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.224 -0.444 . . . . 54.14 111.004 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.07 -165.71 29.36 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.17 -0.538 . . . . 63.35 111.795 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.01 -81.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.186 0.517 . . . . 74.22 110.368 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.69 23.66 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.932 0.873 . . . . 75.12 108.646 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 11' ' ' THR . 0.3 OUTLIER -62.56 161.95 11.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 113.893 -1.503 . . . . 62.24 111.132 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.474 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 42.7 t80 -49.05 -49.18 42.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 75.44 112.287 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -37.69 77.48 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 121.241 -0.184 . . . . 72.51 111.341 -173.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 8' ' ' THR . 12.4 t -70.36 -30.96 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.871 -0.518 . . . . 71.44 111.279 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 86' ' ' ALA . 60.0 mt -76.13 -38.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.547 -0.538 . . . . 74.11 109.547 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -63.92 -29.49 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 74.12 110.331 174.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 HH21 ' CD ' ' A' ' 25' ' ' GLU . 3.3 mmt-85 -52.92 -32.4 45.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.708 -0.678 . . . . 74.2 112.153 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -57.25 -55.29 36.62 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.505 0.503 . . . . 75.11 110.547 -176.694 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.644 ' HE1' HG12 ' A' ' 82' ' ' ILE . 70.1 p-90 -80.64 -32.57 36.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.726 -0.215 . . . . 72.22 111.001 175.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -50.93 -28.33 9.49 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.88 0.696 . . . . 51.53 112.88 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 9.9 pt-20 -65.49 -20.7 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.518 0.199 . . . . 74.54 111.489 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -79.0 -20.57 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.45 . . . . 63.13 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -78.97 176.89 9.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 73.41 109.719 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.688 ' HB3' ' HZ3' ' A' ' 23' ' ' TRP . 62.9 mmtt -72.79 99.43 2.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.636 0.731 . . . . 73.21 111.328 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HD3' ' OE2' ' A' ' 25' ' ' GLU . 1.2 tmm_? -137.42 98.29 3.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.93 -1.032 . . . . 73.23 109.169 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.688 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 44.0 p90 -106.6 -1.89 22.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.487 -0.779 . . . . 73.14 110.772 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -163.2 140.28 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.935 -0.575 . . . . 74.22 110.234 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 21.4 mm-40 -69.16 -27.37 65.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.655 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.47 -35.72 74.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 74.22 110.852 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -63.86 -28.31 69.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.643 -0.708 . . . . 62.52 111.283 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 23.8 ptt180 -72.22 -24.55 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.563 -0.455 . . . . 72.24 110.293 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -73.0 -33.09 65.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.228 0.537 . . . . 71.21 110.298 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.4 -39.05 62.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 70.34 111.007 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 28' ' ' ARG . 32.7 m -83.71 -14.61 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 74.35 111.271 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 7.4 tt -53.13 -51.45 61.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.871 0.367 . . . . 63.32 110.377 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.376 -0.374 . . . . 75.41 110.812 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -70.18 -48.24 58.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 74.45 110.522 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HA ' HG12 ' A' ' 39' ' ' ILE . 4.0 pp -70.46 -29.55 66.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 71.24 111.155 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 43.8 tt0 -75.0 -29.93 61.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 73.43 111.205 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 41' ' ' PRO . 41.2 tp -98.61 -27.11 14.15 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.341 0.497 . . . . 53.44 112.341 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -108.8 -34.96 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.523 0.564 . . . . 54.53 112.523 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG12 ' HA ' ' A' ' 35' ' ' LEU . 43.8 mm -85.3 -57.68 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.757 0.313 . . . . 72.5 110.405 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' HG13 ' A' ' 43' ' ' ILE . 8.5 p90 -131.23 76.22 76.55 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.067 0.461 . . . . 72.03 110.885 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 56.1 Cg_endo -76.01 -57.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.498 2.132 . . . . 40.13 113.884 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.93 -16.23 34.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 74.0 110.618 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.641 HG13 ' HB2' ' A' ' 40' ' ' PHE . 24.1 pt -102.85 9.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.54 . . . . 73.24 110.454 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.473 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -74.82 1.75 52.48 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.87 -0.605 . . . . 62.33 112.298 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 p -87.75 -10.73 50.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.169 0.509 . . . . 75.11 110.002 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -107.56 113.02 26.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.677 -0.692 . . . . 72.41 110.471 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 23.0 t70 -79.78 161.92 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.887 -0.597 . . . . 72.43 110.04 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 12' ' ' ILE . 16.5 tt -57.04 -23.87 19.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 122.591 0.356 . . . . 72.01 111.495 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 47' ' ' ASP . 24.9 ptt180 -54.75 -26.79 36.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.147 -0.479 . . . . 75.02 111.168 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -148.75 85.37 1.49 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.891 0.377 . . . . 74.44 110.508 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 52' ' ' LYS . 18.5 tp -92.67 161.77 14.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.699 -0.482 . . . . 63.43 109.699 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 94.2 mttt -117.38 176.47 5.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 61.21 110.405 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -69.68 -164.4 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.015 0.436 . . . . 74.12 111.628 -178.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.56 ' H ' HG22 ' A' ' 53' ' ' THR . 16.0 m -66.48 11.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.853 0.686 . . . . 72.44 112.853 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -65.62 -28.4 69.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.262 -0.644 . . . . 73.12 109.262 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.59 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.6 pp -73.48 -14.91 61.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.267 -0.878 . . . . 71.54 111.169 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 tp -73.28 -21.39 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 52.14 110.589 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.647 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -59.15 -51.29 82.75 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.026 0.38 . . . . 60.05 112.026 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 50.5 Cg_exo -56.84 -31.59 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.213 1.942 . . . . 73.21 112.84 173.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -68.55 -28.63 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.888 -0.412 . . . . 70.23 109.888 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.871 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 0.6 OUTLIER -68.94 -25.33 64.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 73.01 110.448 -178.055 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -58.34 -49.91 75.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 74.2 109.995 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.74 -33.29 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.002 0.43 . . . . 64.44 110.429 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.871 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.46 -58.01 10.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.776 -0.647 . . . . 65.4 111.908 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -71.71 -12.62 61.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.451 . . . . 75.31 111.237 -173.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -15.7 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.957 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.3 -3.13 7.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.59 -0.815 . . . . 72.24 112.349 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 18.66 10.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.794 0.33 . . . . 71.31 110.179 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.462 ' HB2' ' OD1' ' A' ' 64' ' ' ASP . 5.4 p-80 -54.65 -41.91 70.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.363 -0.835 . . . . 73.15 112.148 -170.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.84 -38.94 61.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 75.45 110.464 -174.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 38.7 t -72.98 -48.86 42.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.683 -0.69 . . . . 74.21 110.445 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.18 93.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.957 -0.565 . . . . 63.03 111.29 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 17.2 tt0 -59.12 -46.42 88.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 74.11 110.968 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -63.06 -38.41 91.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.261 -0.881 . . . . 64.34 110.813 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 97.4 mt -73.19 -46.54 49.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.452 -0.34 . . . . 72.51 111.438 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 79' ' ' VAL . 4.7 pp0? -61.48 -37.54 83.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 73.43 111.143 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -20.02 62.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.762 -0.654 . . . . 64.34 111.41 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.58 ' O ' HG13 ' A' ' 82' ' ' ILE . 28.3 mmt180 -64.11 -32.52 74.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.732 -0.213 . . . . 74.42 111.319 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 76' ' ' GLN . 13.2 m -66.91 -31.91 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.794 0.33 . . . . 74.25 110.296 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.561 HG23 ' HB1' ' A' ' 97' ' ' ALA . 3.1 m -60.83 -40.38 92.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.072 -0.513 . . . . 54.24 110.351 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.4 81.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.781 -0.645 . . . . 65.11 110.565 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.644 HG12 ' HE1' ' A' ' 16' ' ' TRP . 40.7 mt -59.89 -45.08 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.102 177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 92.7 mmm -64.49 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 75.4 110.945 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 2.7 tmt_? -67.14 -38.84 86.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.263 -0.426 . . . . 75.02 110.023 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -73.99 -41.63 61.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.002 0.429 . . . . 73.14 110.387 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 12' ' ' ILE . . . -65.01 -40.87 95.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.296 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 84' ' ' ARG . 2.7 p -68.1 -27.62 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.436 -0.347 . . . . 74.34 110.508 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -64.28 -32.72 74.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.823 -0.626 . . . . 72.13 109.7 -175.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -89.01 1.23 55.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 75.53 110.577 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.4 t0 55.72 40.28 30.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.074 0.94 . . . . 74.24 109.209 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -101.07 -18.12 16.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.937 -1.029 . . . . 55.14 112.081 -168.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.551 HG13 ' H ' ' A' ' 93' ' ' ASP . 2.1 pt -103.41 -88.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.758 1.021 . . . . 74.45 113.758 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.551 ' H ' HG13 ' A' ' 92' ' ' ILE . 35.3 t70 -177.34 46.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.424 -0.584 . . . . 72.35 109.424 -170.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.595 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 56.8 m 71.45 -158.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.157 -0.928 . . . . 52.41 110.591 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.85 87.71 7.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 111.937 0.347 . . . . 64.43 111.937 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.595 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.1 Cg_exo -76.64 -17.98 15.67 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.697 2.265 . . . . 62.3 112.255 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.561 ' HB1' HG23 ' A' ' 80' ' ' THR . . . -93.91 82.68 4.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.196 0.522 . . . . 73.11 110.822 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -133.6 139.06 46.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.91 -0.586 . . . . 73.14 110.073 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.06 15.37 10.05 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.101 0.953 . . . . 34.14 109.646 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.7 -33.93 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.956 -1.02 . . . . 73.22 110.765 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.83 15.83 19.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 62.12 111.06 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.79 66.93 3.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.84 -0.695 . . . . 54.11 111.987 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.36 -151.13 0.36 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.003 0.43 . . . . 73.31 110.643 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.12 12.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.725 -0.67 . . . . 54.15 112.608 -176.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.9 m -64.96 -33.14 75.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.362 . . . . 74.24 111.201 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -132.81 110.02 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.895 0.379 . . . . 74.31 111.064 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 p -116.46 129.85 56.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.678 -0.49 . . . . 74.34 109.678 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -158.68 166.78 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.49 . . . . 63.4 111.117 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.01 -70.87 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.812 -1.085 . . . . 43.13 108.121 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 57.75 123.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 114.863 1.431 . . . . 71.2 114.863 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -147.67 15.25 1.1 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.699 -1.591 . . . . 61.55 108.272 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -108.37 148.74 38.22 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 114.841 -1.072 . . . . 75.11 109.972 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.34 145.56 66.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.027 1.818 . . . . 70.33 110.991 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.61 -45.62 86.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.01 -0.541 . . . . 52.5 109.902 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.616 ' HG3' ' HB3' ' A' ' 118' ' ' HIS . 31.7 tt0 51.95 97.85 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.687 1.242 . . . . 74.04 113.33 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 117' ' ' HIS . 27.7 m80 -117.36 139.43 50.87 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.401 -0.592 . . . . 72.21 109.401 173.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 116' ' ' HIS . 21.3 m-70 74.38 -42.79 0.51 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.568 0.747 . . . . 55.21 111.702 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.616 ' HB3' ' HG3' ' A' ' 115' ' ' GLU . 38.5 t-80 -70.44 138.1 50.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 71.02 109.555 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -134.67 150.48 50.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.566 0.222 . . . . 74.54 110.876 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -110.53 177.42 4.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 75.33 109.676 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.024 -0.989 . . . . 74.24 110.792 -178.469 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.703 ' HA ' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 108.837 -0.801 . . . . 54.05 108.837 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.8 pm0 -66.82 136.2 55.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.331 -0.849 . . . . 61.4 109.85 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -69.82 104.87 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.441 . . . . 61.14 110.929 -175.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t -167.42 -56.53 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.689 -0.687 . . . . 72.23 109.472 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.76 -110.93 0.79 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.852 -0.689 . . . . 62.24 111.816 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 70.09 97.61 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.429 0.691 . . . . 71.2 110.428 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.42 ' CE2' HG12 ' A' ' 12' ' ' ILE . 11.1 t80 67.9 73.45 0.31 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.164 -0.926 . . . . 64.42 109.054 -173.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' HG13 ' A' ' 12' ' ' ILE . 12.6 m -61.59 142.73 56.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.693 -1.14 . . . . 62.54 112.681 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.789 ' HD1' ' HB ' ' A' ' 48' ' ' ILE . 93.5 t80 -49.18 -46.33 45.32 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.159 -0.928 . . . . 73.31 111.673 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.44 -33.23 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 71.24 110.642 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 m -68.33 -40.18 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.059 0.457 . . . . 55.53 110.637 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 86' ' ' ALA . 22.5 mt -63.72 -41.15 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 44.11 109.933 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -65.03 -37.78 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 63.4 110.553 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.475 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 21.5 ttt180 -63.75 -37.3 86.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.936 -0.575 . . . . 74.3 111.201 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.85 -55.23 28.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.977 -0.556 . . . . 74.0 111.463 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.703 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.7 p-90 -79.15 -25.16 42.88 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.272 -0.571 . . . . 74.44 110.887 178.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 81.9 t60 -61.03 -31.25 70.88 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.827 -0.17 . . . . 61.34 111.358 174.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.6 mt-10 -72.79 -3.27 24.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.739 0.305 . . . . 74.23 111.184 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 m -88.59 0.37 56.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.296 0.569 . . . . 64.54 109.563 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -106.32 -174.91 2.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.575 -0.739 . . . . 54.3 109.102 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 1.5 tmtp? -113.99 -26.27 8.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.501 0.185 . . . . 62.34 111.501 -174.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HG3' ' H ' ' A' ' 23' ' ' TRP . 6.2 tpt180 -92.71 174.79 7.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.156 0.503 . . . . 73.01 111.472 -172.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.518 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 9.1 m95 49.7 81.0 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.731 -1.122 . . . . 71.31 112.965 -177.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -73.87 174.72 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.271 -0.877 . . . . 62.5 109.31 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.95 -41.75 92.55 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.687 0.254 . . . . 75.3 111.687 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.34 -46.02 69.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 71.31 110.661 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -73.75 -30.24 62.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 64.44 110.389 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.9 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.53 . . . . 71.45 110.036 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -67.82 -35.06 77.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.141 -0.481 . . . . 73.41 111.287 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -78.99 -42.31 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 74.43 110.983 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -62.82 -13.87 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.88 -0.6 . . . . 54.44 111.091 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 2.6 tm? -51.64 -32.17 28.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.668 0.387 . . . . 60.43 110.999 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -66.84 -51.77 51.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 74.32 110.253 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.31 -34.95 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 74.12 110.133 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.957 HD22 ' HB ' ' A' ' 39' ' ' ILE . 2.5 tm? -52.48 -59.95 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.949 -1.023 . . . . 51.25 109.65 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 43.9 mt-10 -55.51 -30.31 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.994 0.738 . . . . 75.32 112.994 -174.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 37' ' ' LEU . 4.0 mm? -92.68 -39.47 11.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.753 0.649 . . . . 63.3 112.753 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -113.25 -41.64 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.802 0.667 . . . . 72.22 112.802 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.957 ' HB ' HD22 ' A' ' 35' ' ' LEU . 34.7 mm -100.84 102.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 71.13 109.581 -173.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CZ ' ' HE2' ' A' ' 9' ' ' PHE . 5.0 m-85 67.25 58.37 0.85 Allowed Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 114.112 -1.404 . . . . 75.44 109.444 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 29.4 Cg_endo -63.38 -56.54 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.18 1.92 . . . . 75.11 113.412 -170.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.98 -5.7 21.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 71.45 110.668 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 40' ' ' PHE . 30.0 pt -105.53 -9.92 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.271 -0.422 . . . . 73.35 111.212 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.23 33.8 2.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.093 -0.575 . . . . 72.13 112.413 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -107.93 -10.37 15.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.575 -0.528 . . . . 73.15 109.575 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -131.07 140.44 50.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 43.31 110.2 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . 13.0 t70 -79.44 164.11 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.397 -0.365 . . . . 74.42 110.968 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.861 ' HA ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 tt -57.31 -34.89 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 113.095 0.776 . . . . 73.3 113.095 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 92' ' ' ILE . 70.4 ttt180 -66.17 -9.59 33.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.33 111.646 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.703 ' HB3' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -138.23 18.07 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.313 -0.403 . . . . 34.12 110.535 178.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.861 ' HG ' ' HA ' ' A' ' 48' ' ' ILE . 20.9 mt -59.28 162.18 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.427 0.632 . . . . 71.21 111.36 173.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -109.34 176.09 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.57 -0.741 . . . . 72.3 111.07 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.454 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.4 p -73.14 -162.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.786 -0.643 . . . . 61.23 111.987 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.3 m -60.6 5.56 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.95 1.093 . . . . 75.23 113.95 -170.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -64.86 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.387 -0.598 . . . . 73.03 109.387 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 60' ' ' ILE . 1.5 pt? -65.73 -14.25 60.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.271 -0.877 . . . . 61.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.42 -18.93 63.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.57 -0.286 . . . . 75.01 111.452 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.63 -55.49 44.2 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.485 0.55 . . . . 61.02 112.485 -177.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 36.5 Cg_endo -67.57 -18.49 48.68 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.745 1.63 . . . . 61.01 113.21 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.603 HG23 ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp -79.11 -26.7 13.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.949 -0.76 . . . . 74.13 108.949 172.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -71.65 -40.43 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.885 -0.598 . . . . 73.24 110.542 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 59' ' ' PRO . 12.5 pt-20 -67.11 -35.5 79.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.325 -0.398 . . . . 73.0 110.912 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 60' ' ' ILE . 27.6 m -76.43 -30.13 19.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.033 0.444 . . . . 61.23 110.477 176.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.578 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -61.01 -46.02 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 73.35 110.289 171.482 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.0 m -79.99 -12.76 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.56 . . . . 73.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 t -72.69 -22.11 60.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 42.22 110.414 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.64 -31.14 3.45 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.756 -0.735 . . . . 73.34 112.179 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.95 51.99 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 75.51 110.462 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 6.3 p80 -68.95 -19.76 64.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.3 -0.864 . . . . 62.15 110.879 -177.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.42 -42.18 75.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 74.23 109.725 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.6 -45.35 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 64.12 109.763 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.603 ' HB1' HG23 ' A' ' 60' ' ' ILE . . . -55.74 -49.35 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.741 . . . . 72.34 111.099 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -56.45 -47.36 79.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.37 0.605 . . . . 51.23 110.443 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -57.97 -40.9 81.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.332 -0.849 . . . . 60.13 111.599 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 39' ' ' ILE . 2.4 mm? -59.25 -40.98 87.66 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.875 0.11 . . . . 73.33 111.244 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -61.55 -46.76 88.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.69 0.757 . . . . 61.54 109.632 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -64.02 -42.06 97.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.825 -1.079 . . . . 60.51 110.886 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.537 HH11 HD22 ' A' ' 75' ' ' LEU . 59.2 mtt85 -57.39 -53.18 61.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.946 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.648 ' O ' ' HG2' ' A' ' 83' ' ' MET . 33.5 m -66.28 -32.26 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.009 -0.276 . . . . 60.23 111.241 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.6 m -59.11 -44.38 91.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.738 0.304 . . . . 72.33 110.701 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.8 90.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.265 -0.425 . . . . 75.15 110.324 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.703 HG12 ' HE1' ' A' ' 16' ' ' TRP . 77.0 mt -59.3 -41.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 70.12 110.998 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 38.6 mmt -54.35 -51.03 66.04 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.264 -0.425 . . . . 65.44 110.489 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.8 ttm180 -58.92 -45.11 91.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 74.11 111.774 -175.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -68.06 -34.39 76.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.82 0.343 . . . . 75.04 111.167 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 12' ' ' ILE . . . -69.48 -37.03 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 75.11 110.854 178.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 83' ' ' MET . 96.1 t -65.62 -40.07 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 71.13 110.569 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 79.1 mm-40 -62.69 -32.69 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 70.34 111.271 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -5.19 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.43 -0.35 . . . . 70.35 110.981 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.56 26.12 15.52 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.55 0.574 . . . . 63.45 112.55 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -91.17 -51.9 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.286 0.476 . . . . 51.23 112.286 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.517 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 41.2 pt -69.35 -23.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.656 0.243 . . . . 61.03 111.656 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 70.75 -59.27 0.54 Allowed 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.044 0.84 . . . . 71.2 111.846 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -81.42 171.67 14.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.083 -0.508 . . . . 64.11 110.756 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -119.87 85.91 35.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.913 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.59 ' HG2' ' SD ' ' A' ' 83' ' ' MET . 72.3 Cg_endo -78.97 -178.15 4.44 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.711 1.607 . . . . 65.54 111.136 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 50.81 26.04 2.42 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.289 0.368 . . . . 63.11 111.78 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -66.6 0.5 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.007 0.432 . . . . 72.21 111.179 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.31 64.23 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.244 -1.021 . . . . 53.05 108.244 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.448 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.8 tmt? -96.48 -34.77 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.654 -1.157 . . . . 72.34 111.254 -170.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.58 105.8 16.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.321 -0.4 . . . . 53.05 110.296 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -168.25 140.27 6.12 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.787 -0.72 . . . . 73.3 112.145 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 60.98 90.95 0.06 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.194 0.598 . . . . 71.3 112.022 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.0 mt -85.46 -20.66 29.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.542 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.7 t -111.37 -69.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.314 0.578 . . . . 62.25 110.219 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.61 129.34 12.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 72.33 110.099 -176.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.464 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -70.86 144.55 50.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.482 -0.326 . . . . 74.42 110.219 178.426 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -102.14 135.46 43.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.164 0.507 . . . . 71.54 109.886 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -129.85 -47.85 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.296 -0.866 . . . . 62.51 111.601 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 57.12 85.87 0.08 Allowed 'General case' 0 CA--C 1.53 0.196 0 O-C-N 123.723 0.639 . . . . 74.14 110.54 -174.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -144.04 113.7 7.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.721 -0.672 . . . . 72.3 109.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 15.2 t80 -88.14 107.38 15.93 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.999 -0.741 . . . . 72.21 108.999 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 9.1 Cg_endo -85.75 103.2 0.73 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.001 2.467 . . . . 63.14 112.82 -173.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.0 tp -99.3 -21.79 15.89 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.214 -0.903 . . . . 61.14 108.987 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.53 120.66 42.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.279 -0.873 . . . . 64.24 111.006 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -137.25 144.44 42.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.716 -0.675 . . . . 72.05 109.357 172.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -94.73 115.48 27.57 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.728 -0.471 . . . . 63.33 109.728 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -100.75 116.15 31.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.997 -0.371 . . . . 74.01 109.997 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -141.42 122.38 14.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.39 -0.368 . . . . 71.21 110.876 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -172.1 133.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.114 -0.494 . . . . 64.33 110.028 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.247 -0.882 . . . . 65.04 109.801 177.196 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.887 -0.412 . . . . 61.41 109.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.25 100.68 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.959 0.409 . . . . 63.42 110.149 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.426 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 3.4 m-20 -92.66 91.62 7.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.859 -0.609 . . . . 75.42 109.844 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.8 m -90.68 112.08 23.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.76 -0.655 . . . . 74.53 111.208 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' HA3' ' OG1' ' A' ' 11' ' ' THR . . . -158.04 156.5 27.41 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.976 -0.85 . . . . 53.32 110.976 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.58 -85.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.308 0.554 . . . . 63.1 111.306 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -165.16 17.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 72.0 110.574 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 11' ' ' THR . 12.4 p -106.14 -167.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 71.43 111.473 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.411 ' N ' ' HB ' ' A' ' 48' ' ' ILE . 50.4 t80 -66.9 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.438 . . . . 53.2 110.981 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -61.71 -42.4 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 75.14 111.882 -175.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 8' ' ' THR . 15.3 t -66.12 -29.78 70.15 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.951 0.352 . . . . 51.33 111.951 -171.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 85' ' ' TYR . 46.1 mm -72.52 -46.59 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 73.42 110.331 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.62 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.21 0.529 . . . . 73.12 110.262 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 2.2 tmt_? -58.77 -28.77 66.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.108 -0.951 . . . . 73.42 111.136 -177.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.22 -59.1 2.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 33.31 111.566 -174.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -81.64 -35.17 30.31 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.459 0.54 . . . . 74.41 112.459 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -73.47 -22.29 60.2 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.385 0.513 . . . . 72.43 112.385 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.9 tt0 -50.11 -47.72 53.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.987 0.736 . . . . 64.44 112.987 -169.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 t -84.46 3.88 34.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.024 0.379 . . . . 63.25 112.024 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.24 99.79 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.788 -0.365 . . . . 72.05 111.976 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -172.34 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.603 . . . . 73.21 109.514 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HD2' ' OG ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -162.83 114.33 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.91 -0.774 . . . . 72.15 108.91 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -71.79 91.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 70.41 111.424 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 22' ' ' ARG . 10.6 p 175.95 119.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.165 -0.925 . . . . 65.23 109.193 173.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.5 pm0 -62.63 -32.68 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.362 0.505 . . . . 73.22 112.362 -172.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.28 -47.47 79.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.304 0.573 . . . . 70.43 110.402 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 31' ' ' VAL . 9.5 m-70 -72.57 -33.16 66.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 72.14 109.5 -178.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.3 tpt85 -65.55 -37.71 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.406 -0.815 . . . . 74.13 111.246 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -77.42 -39.96 45.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.65 0.262 . . . . 71.45 111.413 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -64.85 -33.83 76.93 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.913 0.338 . . . . 70.42 111.913 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 28' ' ' ARG . 27.8 m -66.09 -16.18 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.634 0.254 . . . . 73.53 111.474 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.77 -36.38 84.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.476 . . . . 64.41 109.892 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -71.75 -32.91 68.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.044 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.77 -24.33 59.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 75.01 109.684 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' A' ' 39' ' ' ILE . 29.4 tp -60.91 -31.88 71.37 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.387 -0.824 . . . . 62.01 110.514 177.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -75.33 -29.26 59.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 65.31 110.995 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 38' ' ' TYR . 3.1 tt -81.32 -65.25 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 72.41 111.51 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD2' HD22 ' A' ' 37' ' ' LEU . 2.6 m-85 -102.9 5.87 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.317 0.488 . . . . 72.53 112.317 -172.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.64 ' HB ' ' O ' ' A' ' 35' ' ' LEU . 29.2 mm -121.5 129.26 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 109.007 -0.738 . . . . 60.23 109.007 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.771 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 36.7 m-85 65.06 54.83 1.2 Allowed Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.633 -1.167 . . . . 72.15 111.047 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -55.76 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.067 1.845 . . . . 74.54 112.557 -175.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -105.2 -10.85 16.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 64.52 110.699 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 56' ' ' LEU . 36.2 pt -112.04 15.03 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.267 -0.424 . . . . 74.22 112.097 -170.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.771 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -60.95 -29.22 70.15 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.167 -0.54 . . . . 43.14 113.784 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.7 m -96.32 16.36 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.141 0.423 . . . . 64.2 112.141 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -75.82 169.9 17.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.745 0.307 . . . . 71.0 110.657 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -104.67 165.06 11.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 74.32 109.395 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' HB ' ' N ' ' A' ' 9' ' ' PHE . 6.2 tt -77.71 -38.38 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.915 0.388 . . . . 40.34 110.118 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' ' 92' ' ' ILE . 35.3 mtp180 -80.69 -22.91 39.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.369 -0.604 . . . . 54.43 109.369 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -131.96 85.05 2.21 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.335 -0.848 . . . . 72.34 110.387 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -96.22 160.97 14.15 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.488 -1.233 . . . . 64.14 109.484 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -75.9 158.39 32.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 73.54 111.528 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.407 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.27 -162.3 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.53 -0.759 . . . . 72.25 110.751 175.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' A' ' 100' ' ' MET . 16.9 m -65.49 8.31 0.17 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.537 0.569 . . . . 52.31 112.537 -175.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 53' ' ' THR . 24.4 m80 -70.05 -26.77 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.169 -0.678 . . . . 63.44 109.169 173.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' HB3' HG21 ' A' ' 43' ' ' ILE . 4.5 pp -65.59 -15.62 62.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.53 -0.759 . . . . 73.22 111.288 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.31 -24.09 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.389 . . . . 72.52 111.021 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -55.38 45.44 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.106 0.41 . . . . 72.12 112.106 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.33 -24.25 37.48 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.743 1.629 . . . . 50.22 112.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 63' ' ' VAL . 47.7 mm -73.81 -24.29 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 73.13 109.536 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -70.3 -39.78 74.63 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.601 -0.439 . . . . 71.13 110.872 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.85 -33.59 70.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.766 -0.373 . . . . 71.21 110.86 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 10.8 m -74.19 -31.62 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.507 -0.553 . . . . 70.42 109.507 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -56.33 23.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.492 -0.776 . . . . 61.21 110.499 172.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -72.42 -12.47 61.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.492 -0.776 . . . . 71.12 111.188 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -66.49 -11.5 52.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.185 -0.461 . . . . 61.33 110.605 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.74 3.89 10.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.362 -0.923 . . . . 40.14 113.117 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -122.19 56.15 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.569 0.699 . . . . 74.44 110.621 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -58.95 -42.16 89.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 72.41 110.472 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 7.9 m-20 -61.38 -44.07 97.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.614 -0.721 . . . . 54.2 110.271 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 44.9 t -63.99 -46.62 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.62 -0.718 . . . . 52.53 110.295 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -55.84 -47.55 77.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 73.43 111.22 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -61.04 -44.3 97.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.048 0.451 . . . . 71.43 111.185 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.614 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 5.8 mpt_? -60.19 -41.05 92.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.986 -0.552 . . . . 72.43 111.176 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 88.1 mt -61.06 -36.38 79.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.681 0.252 . . . . 72.32 111.681 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 9.1 mm-40 -56.09 -50.42 71.08 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.731 . . . . 53.44 109.732 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.89 -20.73 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.803 -1.09 . . . . 63.4 111.737 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.614 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 6.2 mpt_? -72.33 -53.61 11.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.679 -0.237 . . . . 73.12 111.136 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.54 -34.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.848 0.314 . . . . 71.52 111.848 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.3 m -64.33 -40.04 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 54.41 110.483 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.06 81.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 52.01 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 78' ' ' ARG . 57.7 mt -64.57 -51.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 71.45 110.047 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.536 ' HG3' HD13 ' A' ' 92' ' ' ILE . 32.8 ttm -59.68 -39.96 86.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.316 -0.856 . . . . 71.41 111.702 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 19.3 tpt180 -66.04 -29.09 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.708 -0.224 . . . . 61.4 111.453 -175.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.424 ' HD2' HG23 ' A' ' 12' ' ' ILE . 25.5 t80 -74.79 -34.8 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 64.41 109.86 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.73 -17.87 64.13 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.798 -0.637 . . . . 72.13 111.777 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.496 HG22 HD11 ' A' ' 92' ' ' ILE . 58.5 t -58.91 -44.23 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.948 0.404 . . . . 70.14 110.191 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -71.28 -23.7 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 62.32 110.257 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -87.58 7.0 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.526 -0.761 . . . . 73.24 111.367 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.95 3.1 4.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 112.356 0.502 . . . . 71.43 112.356 172.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.57 -52.94 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 72.51 111.894 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' A' ' 83' ' ' MET . 29.2 pt -102.62 160.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.09 0.472 . . . . 71.22 112.002 -173.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.14 -31.27 6.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.541 -0.754 . . . . 73.14 110.411 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 23.1 t -130.28 156.94 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 63.34 110.085 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.409 HD21 HG22 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -112.87 87.33 10.05 Favored Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.462 -0.336 . . . . 74.23 110.94 -179.013 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.456 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 16.4 Cg_exo -68.33 -16.04 43.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.678 2.252 . . . . 75.11 112.528 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.77 6.91 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 74.04 111.789 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -90.9 -8.33 49.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 63.22 111.233 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.39 -39.44 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.723 0.297 . . . . 55.14 111.674 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.666 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 2.0 ppp? -70.05 -27.19 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 65.41 112.727 -173.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.59 127.54 34.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.187 0.518 . . . . 52.51 111.136 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -141.23 177.02 21.35 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.52 -0.763 . . . . 64.13 111.312 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.18 103.8 7.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 74.13 111.206 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 105' ' ' SER . 2.1 pp -108.78 -24.3 11.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.028 -0.533 . . . . 62.42 110.351 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.44 ' N ' HD12 ' A' ' 104' ' ' LEU . 35.5 m -86.51 -53.84 4.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.524 -0.917 . . . . 65.54 108.524 170.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.9 m 69.89 134.78 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.129 -0.941 . . . . 64.31 112.691 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.56 ' O ' ' HD2' ' A' ' 108' ' ' LYS . 1.6 p -143.86 114.42 7.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 73.43 109.866 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.56 ' HD2' ' O ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -128.13 90.81 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.246 0.546 . . . . 71.14 110.678 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.06 -35.18 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.681 -1.145 . . . . 61.35 110.159 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -85.53 101.29 12.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 73.12 110.168 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -166.91 95.89 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.694 -0.685 . . . . 75.51 110.24 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -118.04 101.45 51.66 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.087 -0.709 . . . . 71.52 109.087 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -80.68 168.53 17.7 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.74 2.293 . . . . 73.11 112.228 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.4 tp -140.55 -77.77 0.3 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.563 -0.744 . . . . 72.43 110.002 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 41.5 54.63 3.62 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.976 0.797 . . . . 72.21 110.425 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -124.52 96.64 4.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.531 -0.759 . . . . 63.42 110.427 -174.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -147.88 113.52 5.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.28 0.562 . . . . 74.32 110.177 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -163.76 130.36 3.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 72.33 109.111 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -138.4 125.04 20.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.213 0.53 . . . . 64.3 111.15 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -138.45 114.84 10.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 72.41 109.349 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.073 -0.965 . . . . 71.51 110.459 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.844 -0.428 . . . . 71.15 109.844 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.35 106.23 7.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.279 -0.419 . . . . 62.24 110.289 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -127.85 160.49 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 70.33 109.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.551 ' HB2' HG23 ' A' ' 11' ' ' THR . 9.1 m -66.54 -36.65 83.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.805 0.336 . . . . 71.33 110.97 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.489 ' H ' HG21 ' A' ' 11' ' ' THR . . . -162.17 132.56 2.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.092 -0.575 . . . . 72.52 112.027 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.58 128.43 35.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.882 0.372 . . . . 64.11 110.393 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 p90 44.75 34.0 1.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.658 -1.156 . . . . 73.04 112.442 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 21.1 m -91.81 128.24 37.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.112 -0.494 . . . . 70.24 110.204 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -52.28 -50.12 62.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.06 -0.518 . . . . 74.14 111.809 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.47 -31.99 72.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 71.24 111.428 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 4' ' ' SER . 20.6 m -73.04 -31.76 64.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.376 . . . . 75.14 111.423 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.2 -28.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.374 0.607 . . . . 72.41 109.389 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 71.34 110.931 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 17.3 tpp180 -51.75 -35.73 44.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.043 -0.526 . . . . 64.35 111.794 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 55.02 111.398 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -82.48 -28.28 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.781 0.289 . . . . 71.31 111.781 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 53.6 t60 -52.13 -28.8 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.704 0.631 . . . . 75.14 112.704 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 21.4 mm-40 -63.77 -8.11 9.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.177 0.436 . . . . 51.11 112.177 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -80.59 -14.88 57.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 61.12 110.345 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -96.69 157.54 15.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 75.33 109.881 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -130.74 170.73 13.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.718 0.294 . . . . 72.32 111.603 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 4.3 tmt_? 67.2 90.42 0.09 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.228 -0.896 . . . . 73.24 110.696 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -134.57 -178.61 5.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.636 -0.711 . . . . 74.14 110.426 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -155.75 115.74 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.605 . . . . 64.04 109.499 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -62.1 -27.79 69.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.122 -0.49 . . . . 61.55 112.079 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.29 -51.45 20.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.962 0.411 . . . . 74.2 110.702 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.9 -27.54 64.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.354 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -47.53 -46.98 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 61.32 111.68 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -71.42 -28.01 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 71.13 111.47 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.64 -46.29 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.855 0.36 . . . . 71.54 110.208 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.93 -20.26 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 71.05 110.421 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.21 -36.29 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 65.4 110.472 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 HH11 HD11 ' A' ' 37' ' ' LEU . 3.9 mmt180 -65.71 -38.29 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 72.24 110.826 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 81.1 t80 -67.98 -39.27 83.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.511 -0.552 . . . . 74.51 109.511 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD12 HD12 ' A' ' 39' ' ' ILE . 43.2 tp -56.46 -53.9 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.281 -0.872 . . . . 72.22 111.396 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.91 -31.01 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 72.45 111.847 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD11 HH11 ' A' ' 33' ' ' ARG . 8.6 mp -84.04 -2.32 56.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.669 0.248 . . . . 72.11 111.669 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 7.4 t80 -123.42 -58.91 1.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 72.01 111.469 -173.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.617 HD13 ' HG ' ' A' ' 75' ' ' LEU . 64.5 mt -94.4 -31.8 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.949 -0.569 . . . . 65.24 111.796 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -122.54 54.78 6.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.908 -0.317 . . . . 74.22 111.077 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.84 -58.46 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.437 1.424 . . . . 72.12 112.808 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.33 -15.85 14.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.816 0.341 . . . . 75.51 111.405 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 56' ' ' LEU . 45.8 pt -87.43 2.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.422 -0.354 . . . . 75.21 111.169 -175.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.03 -1.46 63.11 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.886 -0.673 . . . . 73.12 111.616 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 t -88.69 -2.38 58.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.422 . . . . 65.03 110.265 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 m -103.81 124.6 49.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 53.01 110.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.81 167.13 12.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.195 -0.457 . . . . 70.24 110.245 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -59.55 -37.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.192 0.441 . . . . 72.01 112.192 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 72.1 mtm180 -74.66 -35.05 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.757 0.313 . . . . 61.52 111.017 -177.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 78.75 1.41 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.699 ' HB3' ' HG3' ' A' ' 96' ' ' PRO . 31.7 tp -102.27 161.41 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 74.42 109.952 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.4 mmtp -100.79 174.64 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 75.42 112.07 -173.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.2 p -97.23 -161.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.955 -1.02 . . . . 62.11 111.764 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 m -59.12 -0.59 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.898 1.073 . . . . 62.14 113.898 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -63.46 -31.69 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.064 0.459 . . . . 74.45 109.836 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 60' ' ' ILE . 4.1 pp -76.46 -15.51 59.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 71.42 111.685 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.29 -33.24 75.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.64 0.257 . . . . 74.21 111.193 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.55 44.11 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.99 0.737 . . . . 71.21 112.99 -175.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.3 -31.38 43.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.828 1.686 . . . . 72.02 112.938 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 mp -73.97 -24.3 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.304 0.573 . . . . 70.03 109.828 177.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -67.19 -26.18 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 62.13 110.064 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.75 -33.72 64.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.323 -0.853 . . . . 73.21 110.698 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -65.26 -46.29 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.07 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 45.3 t0 -62.6 -37.48 86.42 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.522 -0.763 . . . . 74.13 110.191 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 m -56.65 -39.78 74.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 64.12 110.81 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 m -73.87 -38.81 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.099 0.476 . . . . 73.52 109.866 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 64' ' ' ASP . . . 152.75 -142.71 9.54 Favored Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.336 -1.106 . . . . 33.03 110.336 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 52.86 42.19 31.95 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.113 0.482 . . . . 73.44 111.151 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -17.76 54.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.53 -0.759 . . . . 74.53 111.556 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 14.3 t70 -76.02 -42.59 47.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 62.41 109.905 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.5 t -68.0 -50.6 57.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.417 -0.81 . . . . 62.41 111.254 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.34 -51.3 68.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.055 0.455 . . . . 54.33 110.942 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 30.8 tp60 -60.65 -44.83 95.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.492 -0.777 . . . . 73.53 110.397 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 17.2 tpt180 -55.33 -45.94 76.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.409 -0.814 . . . . 71.14 111.393 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.617 ' HG ' HD13 ' A' ' 39' ' ' ILE . 4.1 mm? -69.05 -41.6 77.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 51.33 111.664 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 19.8 pt20 -67.84 -37.64 82.16 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.609 -0.437 . . . . 70.02 110.472 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.87 -40.37 92.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.773 -0.649 . . . . 71.33 110.05 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.49 ' HD3' HD13 ' A' ' 75' ' ' LEU . 60.3 mtp180 -56.45 -44.14 80.2 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.847 177.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 83' ' ' MET . 53.5 t -57.94 -52.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.386 . . . . 62.34 110.795 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 p -61.74 -33.56 74.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.367 . . . . 74.4 111.733 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.31 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.973 0.416 . . . . 22.43 110.558 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.6 mt -63.79 -35.35 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 75.34 111.019 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 87' ' ' VAL . 20.7 mmt -58.41 -32.94 69.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.806 0.336 . . . . 41.34 111.01 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.35 -45.99 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.251 0.548 . . . . 70.45 110.262 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -69.07 -29.93 68.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 75.51 110.862 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.37 69.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 43.45 110.729 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 83' ' ' MET . 61.0 t -75.77 -46.62 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.098 0.475 . . . . 53.54 109.79 174.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.44 -43.27 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 64.21 111.156 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -91.09 6.07 46.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.298 -0.41 . . . . 74.31 111.083 -175.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.5 t70 58.31 67.26 0.96 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.477 0.656 . . . . 63.35 111.891 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 89' ' ' ASN . 51.5 m-85 -111.68 -46.82 3.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.793 -0.64 . . . . 72.32 111.35 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 pt -102.18 163.52 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.585 0.587 . . . . 72.12 112.585 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -104.57 -41.83 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.988 -1.005 . . . . 73.01 109.785 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -122.2 169.02 11.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.491 -0.777 . . . . 65.01 109.311 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -108.35 89.82 6.33 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 123.31 0.381 . . . . 71.35 110.611 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.699 ' HG3' ' HB3' ' A' ' 51' ' ' LEU . 43.7 Cg_endo -66.25 -172.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.951 2.434 . . . . 62.4 112.293 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.593 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . 59.56 30.63 20.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.566 0.698 . . . . 72.12 110.246 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -66.69 127.09 31.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.449 -0.796 . . . . 65.32 110.972 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t70 62.22 24.31 14.46 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.482 -0.781 . . . . 74.52 111.703 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.593 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.6 ppp? -75.68 -23.6 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.919 0.39 . . . . 75.22 110.749 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.89 72.44 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 74.13 110.585 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.446 ' O ' HD23 ' A' ' 104' ' ' LEU . . . -128.52 -156.44 8.97 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.794 -0.717 . . . . 64.33 112.328 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 65.03 -81.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.368 0.667 . . . . 71.03 111.958 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 104' ' ' LEU . 2.6 pt? -83.32 -20.82 33.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 62.24 111.198 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -99.21 4.71 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.955 0.407 . . . . 72.44 111.406 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -128.2 110.52 12.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.295 -0.411 . . . . 74.53 110.723 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.7 t -160.24 177.57 10.51 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.03 -0.359 . . . . 63.51 110.03 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.862 ' HE3' ' HA ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER 54.16 86.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.954 0.784 . . . . 64.13 111.45 -177.551 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.18 -57.13 2.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 74.55 110.781 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 110' ' ' ARG . 11.2 ttt180 62.14 119.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.628 0.728 . . . . 71.11 111.651 -178.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -105.99 -31.24 8.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 75.31 111.034 -173.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 13.7 m-85 -144.97 148.28 38.15 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 74.52 110.055 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 5.9 Cg_exo -78.44 -177.22 3.72 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.141 2.561 . . . . 32.44 112.22 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.2 tp -117.28 -27.66 6.37 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.09 -0.959 . . . . 74.15 108.649 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -95.16 124.89 39.45 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.4 -1.273 . . . . 72.43 109.978 178.333 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -104.69 87.25 2.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.194 0.521 . . . . 74.41 110.698 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -106.39 141.46 37.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.507 -0.77 . . . . 71.34 109.286 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -127.71 146.3 50.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.956 -0.298 . . . . 75.41 110.669 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -81.56 152.13 27.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.057 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -84.3 111.17 19.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.153 -0.476 . . . . 53.51 110.618 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.311 -0.852 . . . . 73.21 109.957 176.364 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.866 0.365 . . . . 74.13 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.56 171.12 8.75 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.352 -0.61 . . . . 73.22 109.352 173.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -96.13 96.92 9.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.129 -0.693 . . . . 65.41 109.129 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -101.25 140.1 36.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.112 -0.495 . . . . 73.44 110.551 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.05 170.29 13.75 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 111.171 -0.772 . . . . 35.33 111.171 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.0 76.98 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.42 0.629 . . . . 52.31 110.464 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -76.74 -53.5 7.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.404 -0.816 . . . . 75.01 110.949 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m 55.85 94.75 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.606 0.566 . . . . 61.13 111.735 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.87 -39.59 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.895 -0.593 . . . . 75.0 110.794 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.51 -42.7 92.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.689 -0.687 . . . . 74.32 111.24 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -63.32 -40.44 97.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.93 0.395 . . . . 73.25 111.242 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 48' ' ' ILE . 61.3 mt -71.55 -32.37 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 72.31 110.646 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.07 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.289 0.566 . . . . 74.13 110.742 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 28.9 ttt-85 -70.86 -26.43 63.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.399 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -55.12 -52.37 63.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.822 -0.626 . . . . 73.14 111.846 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.9 p-90 -78.75 -24.67 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.633 -0.427 . . . . 72.12 110.812 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 2.5 t-80 -51.11 -28.56 10.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.201 0.6 . . . . 70.34 111.984 174.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.01 -27.31 68.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.815 0.672 . . . . 63.53 112.815 -174.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 p -92.46 21.6 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.387 0.514 . . . . 70.24 112.387 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -82.83 177.08 8.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.859 0.361 . . . . 61.13 110.908 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' HG3' ' A' ' 22' ' ' ARG . 15.4 ptpt -56.92 -56.34 22.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.691 0.626 . . . . 75.34 112.691 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' A' ' 22' ' ' ARG . 4.8 ppt_? -154.75 129.35 9.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.279 0.561 . . . . 72.33 110.572 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -72.28 97.96 2.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 75.22 111.496 -172.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 p -101.57 38.89 1.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.63 -0.714 . . . . 62.11 110.098 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 3.5 tp10 -58.88 -29.83 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 62.34 111.723 -172.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.06 -51.63 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 64.13 110.502 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -75.48 -28.21 59.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.774 -0.648 . . . . 72.45 110.687 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -65.33 -24.31 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 74.45 111.298 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -60.61 -38.25 84.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 75.35 110.129 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 30' ' ' ARG . 14.6 mmt180 -68.39 -34.73 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.517 0.675 . . . . 75.51 109.996 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.56 -21.68 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.987 -1.006 . . . . 64.25 111.015 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.99 -34.05 67.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.574 -0.285 . . . . 70.44 111.282 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.9 -43.4 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 74.04 110.307 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' O ' ' HD1' ' A' ' 38' ' ' TYR . 68.4 t80 -75.47 -45.75 36.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.208 -0.906 . . . . 74.33 109.867 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' HG22 ' A' ' 39' ' ' ILE . 10.2 tt -53.75 -48.75 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.498 -0.773 . . . . 75.14 111.659 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.39 -47.65 66.1 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.235 0.458 . . . . 65.02 112.235 -174.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.84 -2.63 55.21 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.175 0.435 . . . . 55.53 112.175 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' HD1' ' O ' ' A' ' 34' ' ' TYR . 72.4 m-85 -120.11 5.45 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 74.32 111.315 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 35' ' ' LEU . 7.7 tp -112.69 -43.59 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.638 -0.255 . . . . 75.11 111.014 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.618 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 1.1 p90 -147.43 71.07 11.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.553 . . . . 74.42 111.77 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -73.25 -55.14 0.1 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.595 2.197 . . . . 62.55 112.506 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -95.97 -40.62 9.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 73.52 110.872 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 43' ' ' ILE . 2.5 pp -92.9 12.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.001 -0.545 . . . . 72.45 112.14 -173.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.618 ' CA ' ' HB2' ' A' ' 40' ' ' PHE . . . -71.87 -17.39 76.85 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.782 -0.723 . . . . 73.45 112.969 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -90.47 15.33 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.105 0.479 . . . . 75.25 111.186 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 m -99.22 158.53 15.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 53.25 110.59 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -88.65 137.83 31.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.402 -0.592 . . . . 74.1 109.402 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 12' ' ' ILE . 15.9 tt -62.37 -22.03 28.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 112.196 0.443 . . . . 74.31 112.196 -174.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.988 ' HA ' HG22 ' A' ' 92' ' ' ILE . 37.2 ttt180 -75.96 -6.24 50.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.003 0.43 . . . . 74.32 110.416 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -127.76 74.27 1.52 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.758 0.79 . . . . 74.55 110.566 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.86 158.88 16.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 61.3 109.927 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -128.68 177.39 7.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.913 0.387 . . . . 74.05 111.466 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -66.62 -160.34 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.393 -0.821 . . . . 73.45 111.765 179.286 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.57 ' H ' HG22 ' A' ' 53' ' ' THR . 4.0 m -56.57 5.72 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.481 1.289 . . . . 74.53 114.481 -173.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -62.26 -28.54 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.17 -0.678 . . . . 73.42 109.17 172.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.722 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -63.91 -15.4 58.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.855 -1.066 . . . . 72.41 111.326 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.75 -18.74 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.987 0.366 . . . . 71.22 111.987 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.39 -56.0 36.47 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.57 0.582 . . . . 72.32 112.57 -177.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 50.2 Cg_exo -56.59 -37.39 97.64 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.109 1.872 . . . . 75.13 112.834 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.837 HG23 ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp -64.91 -25.53 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 70.25 110.269 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.654 ' HD3' ' OD1' ' A' ' 64' ' ' ASP . 17.7 mmtt -68.14 -24.66 65.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 73.23 111.531 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.92 -49.17 68.94 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.698 -0.853 . . . . 71.21 108.698 173.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.7 t -68.11 -46.23 81.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.505 -0.771 . . . . 72.11 112.062 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.654 ' OD1' ' HD3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -66.45 -40.8 89.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.644 0.259 . . . . 75.1 110.645 -175.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -78.3 -17.58 56.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.631 . . . . 50.5 110.571 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -72.31 -20.31 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 72.41 109.585 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.89 -22.31 4.86 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.694 -0.685 . . . . 44.21 112.172 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 5.2 mtmt -91.93 48.95 1.48 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.145 0.497 . . . . 62.24 110.969 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 1.9 p-80 -65.79 -29.77 70.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 64.31 111.666 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.63 -38.43 67.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.299 0.571 . . . . 75.13 109.85 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 47.3 t -67.95 -49.5 67.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 53.42 110.354 177.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.837 ' HB1' HG23 ' A' ' 60' ' ' ILE . . . -57.73 -36.41 72.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 72.03 111.324 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -57.25 -47.01 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.31 0.576 . . . . 73.4 110.241 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.21 -39.82 76.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.998 -1.001 . . . . 73.31 112.365 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.3 mm? -60.16 -37.27 79.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.632 0.253 . . . . 75.23 111.302 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.403 HE22 ' HA3' ' A' ' 102' ' ' GLY . 14.0 mt-30 -63.44 -43.66 96.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.872 0.844 . . . . 60.42 109.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.28 -30.05 70.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.403 -1.272 . . . . 75.11 111.18 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.36 -39.11 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.45 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.4 p -68.66 -34.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 121.058 -0.257 . . . . 41.1 111.531 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -65.18 -30.67 71.59 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.024 0.44 . . . . 74.31 110.374 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.7 77.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.307 -0.406 . . . . 72.44 110.114 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.793 HG12 ' HE1' ' A' ' 16' ' ' TRP . 62.6 mt -61.21 -44.65 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 72.22 110.281 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.549 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.9 mmt -60.74 -44.22 96.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 71.53 110.251 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -52.1 -49.53 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.84 -0.618 . . . . 72.52 111.439 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -68.0 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 74.14 111.361 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.54 69.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.523 -0.308 . . . . 41.11 110.962 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 83' ' ' MET . 80.7 t -66.72 -36.86 78.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.355 . . . . 55.34 110.642 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.32 -35.41 65.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 72.23 111.722 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -93.25 2.22 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.416 -0.356 . . . . 71.1 111.825 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 60.56 22.84 12.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.846 0.458 . . . . 64.34 110.452 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.434 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 58.0 t80 -71.42 -40.82 70.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 65.11 111.203 -172.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.988 HG22 ' HA ' ' A' ' 49' ' ' ARG . 7.7 pt -92.49 -87.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.423 0.527 . . . . 75.25 112.423 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.85 ' H ' HG13 ' A' ' 92' ' ' ILE . 15.0 t70 174.58 -77.41 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.087 0.47 . . . . 74.22 109.797 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 5.4 p -98.49 -176.49 3.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.745 -0.661 . . . . 63.25 109.927 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.97 87.58 19.2 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.993 0.425 . . . . 74.4 110.275 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.6 Cg_exo -75.79 -175.54 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.007 2.471 . . . . 60.42 112.283 -177.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.87 11.14 3.09 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.142 -0.935 . . . . 54.44 112.109 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 p -76.7 -57.56 3.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 72.42 111.377 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.93 11.34 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.738 0.78 . . . . 53.25 109.891 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt -82.89 88.76 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.588 -0.733 . . . . 73.02 110.183 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.07 126.81 46.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.383 -0.826 . . . . 51.33 110.519 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.403 ' HA3' HE22 ' A' ' 76' ' ' GLN . . . -83.06 120.2 5.09 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.906 -0.664 . . . . 71.22 111.859 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.43 92.25 5.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.918 0.39 . . . . 72.1 110.39 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.2 mt -66.07 -57.84 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.703 -0.68 . . . . 71.01 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 t -129.5 10.67 5.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 61.42 109.314 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -73.19 99.77 2.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 74.31 110.597 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 p -105.5 159.04 16.24 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.277 -0.874 . . . . 71.11 110.465 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -121.05 -172.78 2.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.47 0.652 . . . . 74.3 110.82 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -139.47 12.78 2.55 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.514 -1.221 . . . . 63.33 108.349 172.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -115.22 105.57 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.474 -1.239 . . . . 65.24 109.719 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -123.55 86.4 2.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.852 -0.796 . . . . 71.41 108.852 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -149.43 96.09 3.69 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.444 -0.798 . . . . 73.44 109.59 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.65 178.02 3.98 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.615 2.21 . . . . 71.52 111.697 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.77 -45.57 4.55 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.694 -0.854 . . . . 73.13 108.694 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 49.33 60.62 3.64 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.017 -0.992 . . . . 61.45 110.844 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -124.76 92.94 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.044 -0.98 . . . . 72.43 108.645 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -55.67 116.04 2.69 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.517 0.511 . . . . 73.23 111.22 -175.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -62.17 142.17 57.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 74.44 110.802 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -72.48 118.03 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.959 -0.564 . . . . 73.53 110.431 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -72.56 140.44 48.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.306 -0.861 . . . . 74.03 110.252 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.227 -0.892 . . . . 62.24 109.527 175.551 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 25.3 mmt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.848 -0.427 . . . . 75.34 109.848 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.1 mp0 66.64 16.79 10.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.473 0.654 . . . . 72.03 110.564 -175.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -78.87 67.77 4.67 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.084 -0.962 . . . . 51.13 110.874 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -136.32 36.66 2.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.06 -0.973 . . . . 71.14 109.13 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.86 -94.45 0.63 Allowed Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.986 -1.007 . . . . 42.33 110.77 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.74 63.69 2.14 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.188 0.518 . . . . 64.43 111.537 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.99 36.05 0.17 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.687 -0.688 . . . . 70.14 112.063 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 m -72.87 160.32 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 75.44 110.455 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.8 ' HA ' ' HB ' ' A' ' 48' ' ' ILE . 77.7 t80 -52.72 -46.43 67.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.395 0.517 . . . . 75.13 112.395 -175.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.65 -33.23 70.74 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.64 -0.254 . . . . 73.51 111.288 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -54.93 -47.0 75.01 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.409 0.522 . . . . 71.14 112.409 -173.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.612 ' HB ' HD13 ' A' ' 48' ' ' ILE . 42.5 mt -75.34 -32.71 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 53.32 110.666 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.721 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -67.25 -30.36 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.255 0.55 . . . . 62.12 110.37 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.96 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 32.7 ttt-85 -57.43 -28.57 63.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.396 -0.82 . . . . 74.4 111.827 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 85' ' ' TYR . 11.0 tp10 -54.41 -55.7 26.08 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.909 -0.587 . . . . 71.21 110.771 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.913 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 61.0 p-90 -79.6 -28.08 41.06 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 74.42 110.263 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.96 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 1.2 t-160 -50.21 -44.0 52.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.339 0.655 . . . . 73.3 110.911 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.12 -19.72 64.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.849 0.356 . . . . 73.41 111.53 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -112.55 17.41 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.894 0.378 . . . . 75.21 110.949 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.14 -42.94 59.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 70.34 110.73 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' HG3' ' H ' ' A' ' 22' ' ' ARG . 18.2 ptmt -144.38 -64.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.361 . . . . 62.4 111.344 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' H ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 ttp-105 -162.88 153.37 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 71.33 109.57 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -77.1 132.46 38.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.403 0.621 . . . . 71.4 111.768 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t -179.42 42.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.238 -1.393 . . . . 74.31 107.238 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG3' HH21 ' A' ' 14' ' ' ARG . 5.8 mm-40 -57.86 -23.88 55.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.329 1.603 . . . . 54.22 115.329 -164.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.16 -30.14 15.84 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.335 0.516 . . . . 73.32 111.452 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' HD2' HG21 ' A' ' 31' ' ' VAL . 30.5 p-80 -59.27 -27.64 66.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.378 -0.374 . . . . 75.5 111.955 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 2.0 ptm180 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.778 0.288 . . . . 74.51 111.778 -173.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -73.71 -31.81 63.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.286 0.565 . . . . 41.11 110.444 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.93 -40.69 46.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.624 -0.716 . . . . 75.21 110.199 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG21 ' HD2' ' A' ' 27' ' ' HIS . 61.1 t -70.09 -15.51 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 64.31 111.259 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD23 HD12 ' A' ' 35' ' ' LEU . 57.9 mt -50.57 -36.07 32.97 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.19 0.441 . . . . 72.34 112.19 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -30.39 70.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.946 0.403 . . . . 63.24 110.985 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.19 -41.6 22.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 53.55 109.798 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.717 HD12 HD23 ' A' ' 32' ' ' LEU . 98.4 mt -60.54 -46.68 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 65.25 111.259 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 50.3 mt-10 -55.46 -35.07 65.1 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.332 0.493 . . . . 72.21 112.332 -177.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.83 -45.51 7.28 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.606 0.595 . . . . 74.02 112.606 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -92.22 -19.18 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.977 0.418 . . . . 72.3 111.29 -172.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.619 HG22 ' CD2' ' A' ' 40' ' ' PHE . 26.4 mm -118.63 119.22 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.823 -0.806 . . . . 51.31 108.823 -175.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.871 ' HB2' HG13 ' A' ' 43' ' ' ILE . 16.0 p90 44.65 60.96 12.09 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.883 -1.053 . . . . 62.43 112.11 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.27 -47.89 11.09 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.982 2.455 . . . . 52.44 114.149 -172.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -100.19 -6.37 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 73.33 111.004 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.871 HG13 ' HB2' ' A' ' 40' ' ' PHE . 12.3 pt -114.26 15.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.115 -174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . -63.26 -6.62 14.85 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 116.014 -0.539 . . . . 62.33 114.211 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -91.01 -1.19 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.348 0.574 . . . . 72.04 110.578 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.8 m -92.46 120.39 32.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.026 0.441 . . . . 72.4 110.709 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.546 ' HB2' ' HE ' ' A' ' 49' ' ' ARG . 13.3 m-20 -85.08 164.35 18.26 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.528 -0.545 . . . . 70.15 109.528 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.8 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 16.4 tt -73.11 -20.1 18.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.549 . . . . 75.34 110.293 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HE ' ' HB2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -76.68 -9.35 58.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 63.32 110.565 176.232 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -143.06 70.08 1.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.509 0.671 . . . . 71.22 109.682 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 52' ' ' LYS . 5.3 tt -82.51 143.89 30.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.416 -0.811 . . . . 73.14 109.538 -178.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 51' ' ' LEU . 97.0 mttt -106.88 176.68 5.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.188 -0.46 . . . . 65.0 111.829 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.777 HG22 ' H ' ' A' ' 54' ' ' SER . 1.7 m -82.32 -163.57 0.7 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.999 -0.546 . . . . 70.22 110.504 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.777 ' H ' HG22 ' A' ' 53' ' ' THR . 2.7 p -64.03 4.79 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.299 1.222 . . . . 75.01 114.299 -171.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.22 -28.7 62.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.316 0.579 . . . . 61.52 109.454 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.761 ' HB2' HD13 ' A' ' 43' ' ' ILE . 3.7 pp -70.74 -16.26 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.385 -0.825 . . . . 74.12 111.248 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 56' ' ' LEU . 61.8 tp -80.53 -20.89 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.677 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.57 -51.43 81.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.081 -0.509 . . . . 71.32 112.269 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 34.4 Cg_exo -60.34 -28.39 86.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.936 1.757 . . . . 72.24 112.951 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.533 ' O ' HG12 ' A' ' 63' ' ' VAL . 45.4 mm -72.34 -23.72 21.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.441 0.639 . . . . 71.2 110.144 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 12.1 mmtt -62.83 -24.79 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.591 -0.731 . . . . 65.33 111.192 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.68 -44.75 73.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.918 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.8 p -77.01 -30.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 61.24 110.557 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.8 t70 -60.99 -49.02 79.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 73.25 109.955 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -74.09 -16.81 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 73.22 110.963 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 t -82.1 8.26 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 72.33 110.585 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . 97.98 5.69 57.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.806 -0.711 . . . . 72.23 112.853 174.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.72 ' HB3' HG12 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -120.8 69.04 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.274 0.559 . . . . 65.04 110.389 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -73.96 -23.98 59.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.731 -0.668 . . . . 74.14 110.993 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 5.5 m-20 -69.9 -50.9 37.78 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.57 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.72 HG12 ' HB3' ' A' ' 68' ' ' LYS . 11.7 p -62.85 -33.71 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 54.03 110.686 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.72 85.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.399 . . . . 64.22 110.689 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.523 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.0 mm-40 -72.08 -45.33 61.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.987 -0.551 . . . . 55.24 110.528 176.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 15.0 mmt180 -57.45 -36.02 70.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.901 -0.59 . . . . 72.22 111.156 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.7 mt -67.03 -55.39 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.545 -0.298 . . . . 71.34 110.854 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 11.0 pt20 -63.84 -43.95 94.65 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.993 0.368 . . . . 72.14 111.993 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -68.62 -33.61 74.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.897 0.332 . . . . 71.41 111.897 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 82' ' ' ILE . 85.0 mtm180 -71.21 -21.51 62.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.841 -0.344 . . . . 74.24 111.058 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 75' ' ' LEU . 99.4 t -61.22 -33.2 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.533 -0.303 . . . . 35.52 110.602 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 53.0 p -64.06 -38.17 90.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.661 -0.245 . . . . 52.15 110.718 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.75 76.32 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.135 0.493 . . . . 54.3 110.228 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.913 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 76.9 mt -58.96 -51.21 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.341 176.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.574 ' HE2' ' O ' ' A' ' 94' ' ' SER . 21.0 ttt -71.04 -27.01 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.939 -1.028 . . . . 74.34 111.288 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.499 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -58.34 -41.15 84.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 64.24 110.845 -175.305 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CZ ' ' HG2' ' A' ' 15' ' ' GLU . 59.0 t80 -64.59 -33.3 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.418 . . . . 72.24 110.684 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -73.34 -39.32 65.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.227 0.537 . . . . 74.04 110.491 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.5 -38.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 45.12 110.357 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.7 -40.52 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.982 -0.554 . . . . 74.12 110.717 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -85.97 5.25 34.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.378 . . . . 61.42 110.882 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.23 35.93 25.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.292 -0.867 . . . . 73.11 111.789 174.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 47.5 m-85 -64.54 -35.27 80.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 72.41 110.775 177.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.92 -34.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.25 0.463 . . . . 63.41 112.25 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.13 50.91 12.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.866 0.841 . . . . 74.11 110.709 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.574 ' O ' ' HE2' ' A' ' 83' ' ' MET . 40.2 m -153.79 149.34 27.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.311 -0.859 . . . . 71.21 109.7 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.6 85.79 16.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.614 0.245 . . . . 73.55 111.528 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HD2' ' HE1' ' A' ' 83' ' ' MET . 4.3 Cg_exo -80.66 -9.84 13.27 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.94 2.427 . . . . 73.13 111.906 173.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HA ' ' CG ' ' A' ' 100' ' ' MET . . . -98.44 22.6 9.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 72.1 110.471 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 t -86.15 -51.57 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 62.44 110.748 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.9 -31.9 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.649 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.733 ' HB3' ' HB3' ' A' ' 54' ' ' SER . 4.3 ppp? -66.34 -27.02 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 74.54 111.704 -176.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.82 84.73 7.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.913 0.387 . . . . 64.44 110.251 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.64 144.61 18.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.958 -0.565 . . . . 64.33 111.689 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.38 97.13 10.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.379 0.609 . . . . 53.33 111.167 -176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.54 -1.62 31.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.621 -0.718 . . . . 62.52 110.25 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -86.86 16.51 4.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.456 -0.793 . . . . 50.24 109.697 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.96 0.78 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.555 -0.748 . . . . 73.22 111.741 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.9 p -67.34 123.57 20.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 74.31 110.61 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 10.4 mmpt? 72.72 153.46 0.14 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.885 0.741 . . . . 73.24 110.594 -178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.53 -65.83 0.06 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 42.25 110.486 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -140.23 126.94 20.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.858 -0.61 . . . . 74.54 110.486 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.448 ' O ' ' HB2' ' A' ' 112' ' ' TYR . 12.9 t-80 -121.21 37.63 4.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.472 -0.936 . . . . 74.22 108.472 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 111' ' ' HIS . 86.6 m-85 71.1 140.35 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.385 0 CA-C-N 114.572 -1.195 . . . . 70.32 110.918 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 22.5 Cg_exo -63.57 113.39 2.09 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.361 2.041 . . . . 44.12 111.26 176.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 115' ' ' GLU . 3.7 pp -91.12 -15.23 29.76 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.196 -0.911 . . . . 61.51 110.494 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 114' ' ' LEU . 6.9 tp10 -131.75 142.67 49.83 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.808 -0.633 . . . . 71.12 109.311 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -96.91 161.54 13.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.835 0.35 . . . . 74.52 111.018 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -126.3 161.09 28.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.517 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -99.9 92.47 5.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 74.22 111.322 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -174.05 59.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 65.0 109.166 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -176.6 146.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 73.11 110.087 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.6 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-O 118.307 -0.854 . . . . 73.51 108.896 173.482 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.876 0.369 . . . . 64.1 110.72 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -58.07 -37.92 75.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.643 . . . . 73.1 110.96 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -119.95 69.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.296 -0.631 . . . . 74.31 109.296 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.0 m -150.92 146.25 26.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.701 -0.682 . . . . 73.42 110.053 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.77 37.85 2.09 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.758 -0.734 . . . . 72.12 112.076 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.33 -72.36 0.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 65.54 111.199 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.09 13.62 6.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.398 -0.593 . . . . 74.14 109.398 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.51 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 6.5 m -47.94 132.13 15.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.873 -1.058 . . . . 61.23 112.411 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -55.7 -37.94 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.519 -0.764 . . . . 72.14 111.207 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.496 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -65.48 -44.96 85.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 73.24 110.237 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.51 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 4.9 m -59.87 -43.89 94.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 42.34 110.49 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.84 -38.23 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 74.41 110.788 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -63.38 -29.13 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 65.35 111.206 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -74.22 -37.1 63.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 75.03 110.898 177.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -55.25 -57.25 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.41 111.813 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 59.3 p-90 -75.28 -28.54 59.8 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.767 -0.373 . . . . 63.43 111.062 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -67.95 -41.94 81.72 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.639 0.237 . . . . 65.33 111.639 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.46 -3.84 9.63 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.935 0.346 . . . . 64.52 111.935 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -62.01 -26.18 68.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -122.89 103.96 8.95 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.396 -0.82 . . . . 72.12 109.809 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 tptt 72.62 110.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.919 0.762 . . . . 72.12 111.252 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -151.3 -37.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.697 -0.401 . . . . 70.22 111.711 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -63.91 -20.95 66.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.393 0.516 . . . . 61.42 112.393 -172.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -81.99 71.19 9.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.994 -0.743 . . . . 62.53 108.994 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.25 -25.19 68.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.799 -1.092 . . . . 70.42 111.922 -173.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.88 -42.83 62.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 60.12 110.455 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -75.88 -26.0 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 71.54 111.418 -177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HG22 ' A' ' 31' ' ' VAL . 25.8 ttt85 -51.73 -36.69 47.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.159 0.429 . . . . 54.44 112.159 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m -61.14 -39.9 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.336 0.588 . . . . 72.34 110.664 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -80.78 -34.5 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.8 -0.636 . . . . 73.53 110.961 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 28' ' ' ARG . 17.2 m -74.21 -15.57 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 72.4 110.273 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.45 -54.18 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.361 -0.607 . . . . 73.35 109.361 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -71.4 -31.17 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.013 0.435 . . . . 74.24 110.4 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HB3' ' HA ' ' A' ' 31' ' ' VAL . 26.1 t80 -61.11 -29.34 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.502 0.668 . . . . 74.42 110.143 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.616 HD22 ' HB ' ' A' ' 39' ' ' ILE . 3.3 tm? -60.02 -47.47 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.043 -0.98 . . . . 74.34 110.579 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 42.7 mt-10 -75.63 -29.99 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.869 -176.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.08 -18.6 36.39 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.536 0.569 . . . . 44.12 112.536 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -126.8 -59.23 1.28 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.466 0.543 . . . . 62.22 112.466 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.616 ' HB ' HD22 ' A' ' 35' ' ' LEU . 38.4 mm -67.95 -53.94 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.503 -0.317 . . . . 72.43 111.638 -170.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HD2' HD11 ' A' ' 35' ' ' LEU . 43.6 m-85 -124.43 74.9 61.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 120.87 -0.332 . . . . 65.41 110.45 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 43.6 Cg_endo -72.2 -55.46 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.104 1.869 . . . . 72.43 112.688 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -104.53 -15.47 15.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.871 0.323 . . . . 74.14 111.871 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -104.36 12.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.823 0.305 . . . . 74.04 111.823 -174.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.14 7.46 44.54 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.909 -0.663 . . . . 34.51 112.806 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -99.99 -3.24 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.84 0.352 . . . . 74.13 110.813 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -91.18 132.79 35.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.042 0.448 . . . . 71.33 111.37 -176.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -79.74 152.52 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.755 -0.831 . . . . 71.03 108.755 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.83 -29.05 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.782 0.325 . . . . 61.54 111.551 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 5.4 ppt_? -83.75 2.37 38.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.815 0.341 . . . . 70.54 111.194 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -141.02 74.27 1.45 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.703 0.763 . . . . 65.32 110.425 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.78 161.81 13.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.05 -0.977 . . . . 71.3 109.964 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.9 161.05 16.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.351 -0.386 . . . . 75.42 110.45 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -163.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 61.4 109.927 174.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.541 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 4.3 m -48.83 -14.7 0.07 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.303 0.853 . . . . 72.22 113.303 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.59 -30.78 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.551 0.215 . . . . 64.52 111.065 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD21 ' HE3' ' A' ' 100' ' ' MET . 1.1 pt? -69.73 -15.96 63.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 71.32 110.647 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 103' ' ' ALA . 60.7 tp -77.37 -17.49 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 72.45 110.612 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -61.55 -50.61 81.8 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.564 -0.289 . . . . 73.11 111.525 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 31.9 Cg_exo -63.46 -33.59 68.34 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.846 1.697 . . . . 72.31 112.762 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.35 -23.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 75.04 110.69 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -63.86 -24.05 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 60.43 111.26 -173.738 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -55.86 -32.27 63.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.343 -0.614 . . . . 64.44 109.343 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.21 -33.49 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.753 -0.658 . . . . 72.31 111.637 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.526 ' HB2' ' CB ' ' A' ' 69' ' ' HIS . 1.7 p30 -66.41 -34.96 79.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.066 -0.653 . . . . 61.31 110.394 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -82.04 -34.27 29.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.658 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.1 m -99.48 -41.29 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.293 0.479 . . . . 75.45 112.293 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.499 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . -114.99 43.31 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.961 -0.638 . . . . 75.32 112.868 -174.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HE3' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER 66.77 110.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.71 0.767 . . . . 71.24 112.534 176.457 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . 15.7 p80 -62.61 -24.71 67.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 64.35 110.472 176.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.2 -45.57 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.998 -0.546 . . . . 75.13 110.127 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.82 -45.83 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 50.31 110.371 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.98 89.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.824 -0.626 . . . . 54.4 111.978 -176.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.0 mm-40 -64.73 -49.06 72.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.814 0.34 . . . . 74.43 110.67 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.92 -31.47 70.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.174 0.511 . . . . 61.21 110.239 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 39' ' ' ILE . 5.1 tt -70.24 -51.83 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.663 -0.699 . . . . 73.32 110.505 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' HG3' ' HA ' ' A' ' 73' ' ' GLN . 4.0 pp0? -65.21 -34.25 77.93 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.761 0.282 . . . . 71.32 111.761 -176.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.06 -27.04 65.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.177 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -26.01 61.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 71.15 110.678 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.0 -32.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.514 -0.551 . . . . 74.33 109.514 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 97' ' ' ALA . 40.7 m -61.68 -32.77 72.98 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.56 -0.746 . . . . 71.45 110.419 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.38 62.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.608 . . . . 71.24 110.573 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.442 HG12 ' NE1' ' A' ' 16' ' ' TRP . 50.9 mt -63.76 -41.04 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 62.13 110.154 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -62.65 -34.53 77.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.642 . . . . 74.33 111.135 179.047 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.67 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.256 -0.646 . . . . 74.11 109.256 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.35 -41.82 98.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.649 . . . . 74.3 110.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.655 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -62.88 -36.08 82.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 51.41 111.905 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 83' ' ' MET . 72.7 t -72.1 -44.95 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.571 0.224 . . . . 75.41 110.923 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -66.43 -34.92 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 64.31 111.059 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -89.37 10.56 22.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.448 -0.342 . . . . 74.02 110.724 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.97 59.1 4.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.478 -0.783 . . . . 61.51 112.795 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.655 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 48.6 m-85 -99.12 -42.35 7.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.029 -0.532 . . . . 71.44 109.657 171.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.9 pt -121.86 152.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 72.32 111.071 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.04 -29.5 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.316 0.579 . . . . 43.13 110.105 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.655 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 39.2 m -96.61 146.27 24.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.438 -0.801 . . . . 61.03 109.886 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.04 86.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.528 -0.305 . . . . 73.01 110.297 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.655 ' HD3' ' O ' ' A' ' 94' ' ' SER . 20.8 Cg_exo -65.27 -52.53 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.61 2.207 . . . . 73.21 111.725 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 80' ' ' THR . . . -85.26 67.65 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.989 -0.551 . . . . 71.44 110.275 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.7 t -98.12 -66.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.076 -0.712 . . . . 73.15 109.076 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -126.31 86.1 2.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.839 -0.801 . . . . 74.41 108.839 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.654 ' HE3' HD21 ' A' ' 56' ' ' LEU . 22.0 ptm -100.47 19.79 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.366 -0.833 . . . . 73.4 111.555 -171.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.8 80.62 1.91 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.97 0.414 . . . . 63.35 111.277 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.46 26.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.294 -0.955 . . . . 42.51 112.993 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB3' HD23 ' A' ' 57' ' ' LEU . . . -89.94 -14.6 33.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.67 0.272 . . . . 71.22 111.433 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 105' ' ' SER . 0.4 OUTLIER -95.91 -34.43 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.457 -0.338 . . . . 71.14 111.608 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.539 ' H ' HD12 ' A' ' 104' ' ' LEU . 23.2 t 61.03 32.84 19.82 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.524 0.678 . . . . 74.43 110.332 176.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 m -76.46 -28.52 56.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.517 -0.765 . . . . 72.25 111.687 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.6 m -73.2 149.35 42.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.913 0.387 . . . . 64.22 110.995 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 8.1 tppt? -135.25 165.19 26.0 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.877 -0.601 . . . . 75.31 109.917 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.36 -58.44 2.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 54.15 110.435 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 57.72 -172.95 0.09 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.641 -0.709 . . . . 71.14 111.919 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -164.71 178.79 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 64.42 110.688 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.25 156.86 48.41 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.038 -0.528 . . . . 74.32 109.973 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.447 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . 45.0 Cg_endo -67.97 164.92 29.92 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.367 2.045 . . . . 73.44 112.008 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 29.4 tp -106.97 26.73 9.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.676 -0.693 . . . . 73.15 109.878 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 113' ' ' PRO . 43.0 mt-10 -52.33 114.09 1.25 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.969 -0.56 . . . . 65.15 110.304 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -117.88 104.57 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.845 -0.616 . . . . 71.33 110.112 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -116.84 122.5 44.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.261 0.553 . . . . 74.23 111.473 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -133.03 -170.2 2.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.406 -0.816 . . . . 63.31 109.419 172.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.5 m170 71.67 23.99 3.6 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.786 0.679 . . . . 71.22 111.413 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.71 170.27 22.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.288 -0.634 . . . . 73.32 109.288 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 53.2 t60 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.434 -0.793 . . . . 64.4 109.847 -178.316 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.195 0.521 . . . . 75.43 110.172 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -96.86 -31.06 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.496 -0.775 . . . . 75.22 110.971 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 m120 62.86 -173.54 0.15 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.87 -0.605 . . . . 74.12 111.289 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.4 m -143.27 176.11 9.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 34.21 110.229 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.04 141.82 12.28 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.834 -0.698 . . . . 60.15 112.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.39 138.35 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.082 -0.34 . . . . 53.41 110.082 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -155.55 25.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.947 0.351 . . . . 71.11 111.947 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -94.64 177.7 5.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.767 0.318 . . . . 75.54 111.293 -177.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -34.95 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.052 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -38.5 86.8 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.894 -0.594 . . . . 62.02 109.936 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 m -58.35 -36.1 72.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.91 -0.587 . . . . 74.34 111.149 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.72 -47.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.452 . . . . 74.33 110.571 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.585 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -71.29 -28.88 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 54.33 110.831 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -62.65 -39.66 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 65.31 110.366 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.67 -59.42 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.967 . . . . 75.1 112.213 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.627 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 56.2 p-90 -79.62 -32.48 41.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.428 0.529 . . . . 73.02 112.428 -171.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.19 -34.96 75.71 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.326 -0.55 . . . . 64.24 111.478 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -78.44 -12.13 59.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.979 0.419 . . . . 62.34 110.837 -175.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 p -110.61 14.61 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.269 0.557 . . . . 70.13 110.034 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 6.0 t-20 -93.87 -153.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.653 -0.703 . . . . 72.52 109.875 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 20' ' ' ASN . 7.0 tmtm? -44.78 -57.69 3.56 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.541 0.736 . . . . 73.24 112.508 -173.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -147.32 143.76 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.343 -0.543 . . . . 74.43 111.705 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -55.81 137.37 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.083 -0.962 . . . . 73.4 110.483 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 m -133.78 16.05 3.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.608 -0.269 . . . . 63.54 110.978 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 8.4 pt-20 -46.42 -41.35 13.62 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.272 0.841 . . . . 65.53 113.272 -172.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 21.3 t70 -72.73 -51.89 17.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 71.21 111.12 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -70.93 -26.28 63.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.752 -0.658 . . . . 72.01 111.404 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -54.06 -34.9 61.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.243 -0.889 . . . . 73.24 111.282 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -60.55 -35.17 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.071 0.462 . . . . 71.31 111.112 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -74.09 -42.2 60.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 72.14 109.876 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 35' ' ' LEU . 47.5 t -64.93 -38.49 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.256 -0.884 . . . . 74.14 110.624 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.16 -50.04 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 64.42 110.222 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 33' ' ' ARG . 17.0 ttt85 -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.016 -0.538 . . . . 71.51 110.217 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.17 -50.35 72.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.724 -0.671 . . . . 73.01 110.812 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.549 HD23 HG12 ' A' ' 31' ' ' VAL . 4.3 pp -73.16 -36.4 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.022 0.378 . . . . 73.55 112.022 -173.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 79.4 mt-10 -71.49 -30.11 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 73.21 111.497 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 33' ' ' ARG . 8.7 mp -78.35 -46.3 20.38 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.178 -0.209 . . . . 64.12 111.515 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.68 -43.54 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.679 0.622 . . . . 64.53 112.679 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.612 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 41.9 mm -91.47 -22.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.676 0.274 . . . . 71.14 111.591 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.581 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 97.3 m-85 -120.35 57.94 5.65 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.487 0.551 . . . . 63.44 112.487 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.612 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 6.1 Cg_exo -79.22 -51.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.238 1.959 . . . . 72.51 111.372 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -103.21 -33.84 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 56' ' ' LEU . 38.5 pt -90.32 13.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.01 0.374 . . . . 72.11 112.01 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.8 -7.04 68.83 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.113 -0.565 . . . . 62.43 112.749 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -99.13 15.0 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.752 0.31 . . . . 73.02 110.732 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.7 m -88.32 135.17 33.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 63.41 111.228 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' OD2' ' HD3' ' A' ' 49' ' ' ARG . 17.3 t70 -88.09 155.82 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.71 -0.677 . . . . 75.15 109.597 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.8 tp -64.61 -21.66 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.975 0.417 . . . . 74.4 111.702 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HA ' ' CG2' ' A' ' 92' ' ' ILE . 7.2 mtp-105 -83.22 -0.6 50.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.574 -0.285 . . . . 70.43 111.64 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -148.91 75.98 1.32 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.745 0.783 . . . . 73.23 110.816 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HB2' ' HG2' ' A' ' 96' ' ' PRO . 2.9 mm? -87.03 161.76 17.99 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.863 -1.062 . . . . 75.24 109.06 172.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.86 ' HB2' HD23 ' A' ' 56' ' ' LEU . 12.6 mptt -115.95 176.05 5.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.291 0.567 . . . . 72.54 111.655 -173.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.7 p -85.4 -163.52 0.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.278 -0.873 . . . . 74.45 111.628 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.424 ' H ' ' HB ' ' A' ' 53' ' ' THR . 3.0 m -54.3 -18.44 4.0 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.977 1.102 . . . . 54.43 113.977 -173.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -65.33 -26.05 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.398 . . . . 73.32 111.142 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.86 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.4 pp -72.75 -16.77 61.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.923 0.392 . . . . 60.41 110.907 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -86.92 -16.93 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 60.33 110.647 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -51.45 -50.52 76.08 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.799 -0.637 . . . . 62.21 112.488 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.0 Cg_exo -58.18 -38.05 92.87 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.869 1.713 . . . . 65.04 112.681 178.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.525 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.7 mp -67.71 -24.09 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.068 0.461 . . . . 73.13 110.93 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 8.6 tmtt? -57.98 -26.1 61.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 73.34 111.555 -174.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.079 0.399 . . . . 71.41 112.079 -176.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.0 p -74.33 -31.75 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 74.32 110.451 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -66.19 -45.12 81.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.825 -0.625 . . . . 51.1 109.743 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 m -68.0 -26.6 65.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 41.31 110.94 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -72.16 -3.91 26.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.786 0.327 . . . . 70.34 111.022 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.09 -14.4 26.12 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.828 -0.701 . . . . 51.45 112.604 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.934 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -95.21 77.41 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.557 0.694 . . . . 75.31 110.635 -177.478 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -72.9 -33.83 66.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.748 -1.114 . . . . 71.43 110.231 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 16.4 t70 -56.51 -53.44 57.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.217 -0.902 . . . . 74.43 111.917 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.12 -34.49 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.474 -0.33 . . . . 44.22 111.739 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -67.07 -50.54 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 65.12 110.079 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.99 -45.89 86.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.32 -0.855 . . . . 73.34 110.836 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 69.8 mtp180 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 64.15 111.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.5 mm? -71.96 -39.2 69.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.978 0.362 . . . . 62.21 111.978 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 15.2 pt20 -67.0 -38.14 85.47 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.61 -0.436 . . . . 74.2 110.658 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 6.3 tp60 -73.07 -20.72 60.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.438 0.637 . . . . 73.44 110.558 175.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.3 tpt180 -72.44 -42.31 65.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 73.31 110.209 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 75' ' ' LEU . 61.3 t -61.94 -43.53 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.804 -0.634 . . . . 75.44 111.193 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.8 p -61.52 -36.25 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 64.52 111.021 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.9 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.948 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.627 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 69.2 mt -66.74 -42.43 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 64.24 110.439 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.522 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -60.21 -35.3 75.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 72.24 110.506 179.466 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -57.27 -41.53 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 71.32 111.114 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.547 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 64.7 m-85 -69.61 -29.94 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 75.52 111.328 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.51 61.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.132 0.491 . . . . 74.22 110.445 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 83' ' ' MET . 58.8 t -86.03 -34.65 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 72.04 111.264 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 85' ' ' TYR . 9.2 pt20 -59.54 -38.9 82.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.884 0.373 . . . . 73.43 111.056 -178.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 83.9 m-20 -88.8 -2.83 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 61.42 110.62 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 57.99 79.2 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.614 0.721 . . . . 72.14 111.266 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' A' ' 89' ' ' ASN . 63.6 m-85 -106.66 -28.87 9.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.721 . . . . 73.11 110.233 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 49' ' ' ARG . 23.5 pt -133.61 144.23 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.705 -0.679 . . . . 73.14 110.32 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -89.75 -12.15 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 73.45 110.168 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 m -87.06 145.21 26.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 74.44 109.6 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -118.82 86.28 30.1 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.927 0.394 . . . . 61.04 110.147 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 51' ' ' LEU . 6.0 Cg_exo -77.47 -164.59 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.754 2.303 . . . . 52.52 111.078 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.762 ' HA ' ' SD ' ' A' ' 100' ' ' MET . . . 57.56 24.19 10.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.038 0.447 . . . . 74.43 111.371 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 m -97.45 143.59 28.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 73.23 110.253 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.38 20.86 11.87 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.924 0.765 . . . . 55.01 110.662 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.762 ' SD ' ' HA ' ' A' ' 97' ' ' ALA . 81.2 mtp -97.43 -44.49 6.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.771 -0.65 . . . . 74.35 109.405 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.53 60.11 6.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.597 -0.729 . . . . 64.42 109.921 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.33 -132.99 1.45 Allowed Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.32 -0.855 . . . . 63.44 111.384 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 63.81 -77.19 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.243 0.617 . . . . 63.32 111.993 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.76 ' H ' HD23 ' A' ' 104' ' ' LEU . 1.5 pt? -84.42 11.16 9.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.995 0.426 . . . . 70.44 111.189 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.4 p -85.75 8.94 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.164 -0.471 . . . . 73.13 111.039 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 p -70.7 94.4 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 71.13 111.682 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.1 p -85.83 145.24 27.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 75.21 110.395 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 7.5 mmpt? -132.46 137.73 47.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.716 0.293 . . . . 64.35 110.763 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.63 -76.71 0.24 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.58 . . . . 72.41 109.8 173.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 59.11 163.42 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.729 0.812 . . . . 73.13 112.484 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.5 m80 67.5 96.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.617 -0.72 . . . . 71.54 112.761 173.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -155.97 108.51 2.12 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.109 -0.951 . . . . 72.1 109.898 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -81.93 108.17 1.81 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 122.391 2.06 . . . . 74.32 110.918 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.1 tp -73.69 -53.2 10.94 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.096 -0.705 . . . . 62.24 109.096 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 55.82 23.28 6.29 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.233 -0.894 . . . . 72.32 111.437 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -98.19 95.93 7.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.342 -0.614 . . . . 62.04 109.342 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -128.47 95.78 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.357 0.598 . . . . 50.41 110.974 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -141.6 102.28 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 53.12 109.668 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -131.83 138.56 48.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.638 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -164.09 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.118 -0.492 . . . . 62.14 110.589 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 78.2 t60 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.407 -0.806 . . . . 71.41 109.171 -178.131 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.462 -0.57 . . . . 73.21 109.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.01 -23.28 23.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 74.24 110.958 -172.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -90.54 101.97 14.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.967 -0.561 . . . . 53.11 110.495 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.2 m -154.59 11.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.83 -0.623 . . . . 64.44 110.387 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.19 -171.7 20.97 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.603 -0.808 . . . . 35.53 111.945 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.02 2.62 15.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.732 0.301 . . . . 53.53 111.387 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -90.07 10.02 25.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.207 0.527 . . . . 74.41 110.817 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -65.58 153.14 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 33.1 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.636 ' HZ ' HD13 ' A' ' 82' ' ' ILE . 30.2 t80 -51.85 -39.38 58.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.934 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.671 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 6.6 mm-40 -51.91 -40.85 61.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.245 -0.889 . . . . 71.14 112.096 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -57.66 -49.83 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.403 . . . . 73.2 111.551 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 HD12 HD13 ' A' ' 48' ' ' ILE . 58.9 mt -75.64 -31.56 23.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 62.53 110.76 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.33 82.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 62.12 111.472 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.671 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 9.5 mpt_? -68.32 -26.35 65.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.393 -0.367 . . . . 74.2 111.706 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.66 -56.2 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.276 0.36 . . . . 74.23 110.677 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.433 ' CZ2' HG12 ' A' ' 82' ' ' ILE . 64.7 p-90 -82.13 -36.42 27.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.244 0.461 . . . . 72.02 112.244 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -63.68 -27.73 69.42 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.109 0.781 . . . . 54.42 113.109 -172.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 57.8 mt-10 -76.18 5.1 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.46 -0.496 . . . . 72.43 111.913 -177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -90.08 6.82 40.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.43 0.633 . . . . 64.22 109.597 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.12 25.15 1.66 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 74.52 110.439 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 70.37 -168.01 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.76 -0.654 . . . . 74.34 112.195 175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 71.35 104.37 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.325 -0.852 . . . . 74.32 110.228 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -68.2 -27.72 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 74.34 112.137 -174.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -76.23 107.39 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.024 -0.361 . . . . 44.23 110.024 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.708 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 mp0 -62.39 -27.44 69.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.547 . . . . 64.14 110.726 -174.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -51.17 -30.54 17.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.487 -0.779 . . . . 42.25 112.795 -170.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -27.28 61.91 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.322 0.489 . . . . 74.03 112.322 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -64.97 -23.5 67.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.677 0.251 . . . . 73.11 111.677 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 38.1 m -77.32 -37.23 52.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.029 0.442 . . . . 51.12 110.693 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -80.26 -38.94 29.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.111 0.411 . . . . 63.53 112.111 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 28' ' ' ARG . 35.0 m -63.18 -16.99 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 121.0 -0.28 . . . . 73.43 111.122 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' OE2' ' A' ' 10' ' ' GLU . 7.4 tt -57.4 -39.76 76.8 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.117 0.484 . . . . 71.15 109.888 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -59.32 -39.94 84.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 73.13 110.409 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -83.27 -38.77 21.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 72.44 110.081 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HG ' ' CG1' ' A' ' 39' ' ' ILE . 10.4 tt -60.29 -35.91 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.856 -0.611 . . . . 64.35 111.072 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -33.31 50.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.895 -0.593 . . . . 73.22 110.9 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.43 -27.04 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 75.1 111.438 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.92 -40.35 47.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.975 -0.557 . . . . 73.25 111.682 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.41 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 49.5 mm -95.89 -35.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.957 0.408 . . . . 65.02 110.588 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -119.8 82.49 27.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.403 -0.362 . . . . 72.24 110.596 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.63 -60.12 0.08 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 121.278 1.318 . . . . 41.25 111.574 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -109.2 -17.54 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.413 . . . . 45.31 111.002 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 56' ' ' LEU . 38.4 pt -88.59 14.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.612 0.597 . . . . 43.33 112.612 -169.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.31 5.45 9.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.889 -0.672 . . . . 42.44 113.316 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 p -106.18 5.92 30.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.076 0.438 . . . . 54.25 111.247 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -97.53 145.01 26.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.004 0.431 . . . . 65.33 110.932 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 149.28 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.57 . . . . 72.11 111.094 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.521 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 13.9 tt -77.52 -23.83 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.389 0.614 . . . . 71.31 110.152 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -78.25 -3.5 43.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 60.34 110.731 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -162.38 82.66 0.54 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.317 -0.624 . . . . 72.35 109.317 172.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.526 ' H ' HG22 ' A' ' 92' ' ' ILE . 14.5 tp -95.28 161.72 13.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.093 -0.503 . . . . 60.43 110.38 -176.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -111.46 174.88 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.001 -0.545 . . . . 74.2 111.966 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.478 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.0 OUTLIER -74.26 -162.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.387 -0.824 . . . . 53.24 112.56 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.478 ' H ' ' HB ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -68.06 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.274 1.212 . . . . 71.23 114.274 -170.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -67.23 -28.69 68.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 72.52 108.709 173.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 3.2 pp -68.18 -14.42 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.843 -1.071 . . . . 73.14 111.886 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.85 -27.9 65.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 -0.242 . . . . 75.42 111.613 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.1 -54.14 53.65 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.138 0.421 . . . . 72.11 112.138 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -61.43 -32.6 88.94 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.062 1.842 . . . . 72.42 112.835 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mm -71.05 -32.03 46.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 72.33 109.951 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.571 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.79 -25.21 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.729 -0.669 . . . . 73.23 110.012 -176.823 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.08 -28.49 62.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.337 -0.847 . . . . 73.41 110.042 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.55 -36.42 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.733 -0.667 . . . . 73.44 111.646 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.94 -36.83 72.76 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.495 -0.482 . . . . 62.14 110.978 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 m -82.28 -44.45 16.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.207 -0.452 . . . . 64.34 112.117 -175.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.7 m -107.14 7.2 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.205 0.446 . . . . 34.41 112.205 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -138.89 4.0 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.783 -0.722 . . . . 53.13 111.777 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HB2' HG12 ' A' ' 71' ' ' VAL . 46.3 mtpt -90.51 113.26 25.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.829 0.347 . . . . 62.13 110.328 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -59.6 -33.31 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.829 -0.623 . . . . 75.43 112.668 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.82 -44.18 42.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.86 0.362 . . . . 61.41 111.27 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.648 HG12 ' HB2' ' A' ' 68' ' ' LYS . 8.4 p -65.41 -32.75 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.715 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.96 90.9 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.594 -0.275 . . . . 53.11 111.274 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -62.42 -44.13 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.404 0.621 . . . . 74.44 110.877 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 38.5 mtp180 -65.22 -32.29 73.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.431 -0.804 . . . . 73.4 110.624 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 3.0 tm? -69.37 -51.48 36.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.053 -0.521 . . . . 73.32 110.76 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 3.4 pt20 -63.88 -39.03 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 74.31 111.471 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -59.83 -28.93 67.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.199 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.559 ' O ' HG13 ' A' ' 82' ' ' ILE . 61.3 mtt180 -61.31 -36.04 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.211 -0.45 . . . . 75.25 111.046 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.62 -41.74 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.111 0.482 . . . . 65.44 110.598 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 m -65.28 -30.45 71.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 73.13 110.648 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 84' ' ' ARG . . . -74.15 -24.73 59.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 53.22 111.081 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.636 HD13 ' HZ ' ' A' ' 9' ' ' PHE . 67.4 mt -75.18 -36.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 73.33 110.6 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.517 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 24.8 mmt -57.72 -39.46 77.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.489 -0.778 . . . . 70.33 112.821 -173.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 16.6 ptm180 -57.64 -39.72 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.542 0.21 . . . . 72.01 111.42 -177.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -77.62 -30.45 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 74.11 110.773 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.79 73.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.955 0.407 . . . . 73.43 110.505 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.603 HG22 HD11 ' A' ' 92' ' ' ILE . 63.3 t -69.92 -14.82 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.902 -0.59 . . . . 74.32 111.547 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 83.9 mm-40 -54.26 -40.53 67.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.853 0.359 . . . . 75.23 110.656 175.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.405 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 72.3 m-20 -105.23 -16.73 14.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.021 -0.733 . . . . 73.12 109.021 171.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.564 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 44.9 t0 57.9 90.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.489 -1.232 . . . . 63.22 112.415 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 89' ' ' ASN . 79.0 m-85 -101.93 -10.41 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 52.14 110.072 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -99.88 -33.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.958 -0.564 . . . . 63.22 111.929 -173.422 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 63.3 26.69 15.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.401 0.619 . . . . 75.12 111.133 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -152.51 -14.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.709 0.633 . . . . 75.55 112.709 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.462 ' OD1' HG21 ' A' ' 87' ' ' VAL . 5.5 t30 47.64 76.6 0.53 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.575 0.35 . . . . 71.41 111.297 -171.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.745 ' HD3' HG13 ' A' ' 92' ' ' ILE . 2.9 Cg_exo -76.51 -171.23 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.795 2.33 . . . . 61.2 112.002 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 64.94 3.18 2.0 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.67 -0.696 . . . . 62.43 111.478 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.6 p -77.31 -64.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.437 -0.579 . . . . 62.01 109.437 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.46 79.58 8.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.614 -0.884 . . . . 71.23 108.614 172.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -155.72 -52.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 71.31 108.963 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.74 156.93 32.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 71.41 108.949 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.39 -139.34 2.75 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 34.32 112.636 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.34 97.04 9.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.822 0.344 . . . . 64.12 110.55 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.32 -69.13 0.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.306 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -140.66 41.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.038 0.446 . . . . 75.24 110.655 -173.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 p -82.91 91.04 7.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 74.43 111.158 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 m -149.23 155.07 40.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.504 . . . . 74.52 110.017 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -150.74 175.27 12.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.057 -0.349 . . . . 73.45 110.057 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -160.61 29.09 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.934 -0.576 . . . . 64.34 110.6 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -51.72 123.63 10.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.517 -0.765 . . . . 75.34 111.9 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -147.52 95.64 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 71.04 110.963 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -161.06 103.76 1.26 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 73.22 109.592 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.58 -79.21 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.915 2.41 . . . . 73.21 112.184 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.5 tp -142.49 -41.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.826 -0.435 . . . . 71.25 109.826 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 70.53 -70.29 0.16 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.977 -1.011 . . . . 72.44 111.773 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -68.71 112.7 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.165 0.507 . . . . 61.32 110.667 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -126.17 106.46 9.58 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.531 -0.759 . . . . 72.34 109.514 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -141.25 134.75 29.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.93 -0.577 . . . . 64.25 109.524 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -111.24 120.33 41.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.987 0.423 . . . . 74.25 111.424 -176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -104.11 169.12 8.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.607 . . . . 74.15 109.559 173.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.727 -0.654 . . . . 73.41 109.527 175.577 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtm . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.959 -0.385 . . . . 74.11 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -87.98 149.87 23.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 75.2 111.037 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.39 99.38 3.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.68 -0.691 . . . . 73.44 109.495 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -95.09 101.75 13.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.37 -65.32 2.02 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.656 -0.978 . . . . 51.14 110.656 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 47.78 59.97 3.84 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.291 0.636 . . . . 51.21 112.277 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.868 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 21.6 p90 -73.41 97.08 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.198 0.999 . . . . 70.55 109.387 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -139.56 151.23 45.92 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.859 -1.064 . . . . 73.1 109.871 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -55.11 -42.39 72.88 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.377 0.423 . . . . 62.15 110.24 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.38 -38.6 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.815 -0.629 . . . . 75.14 111.451 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -63.07 -43.63 98.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.139 0.495 . . . . 72.05 110.585 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.96 -43.49 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.657 . . . . 73.11 110.438 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.95 -33.86 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.789 -0.641 . . . . 74.14 110.949 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -34.23 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 72.2 110.752 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.27 -59.02 5.97 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.088 -0.506 . . . . 62.04 111.527 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 50.5 p-90 -79.25 -24.39 43.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.728 -0.389 . . . . 71.54 110.843 -176.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.71 -31.03 69.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.503 -0.317 . . . . 71.41 111.166 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.16 -21.61 63.05 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.649 0.261 . . . . 74.1 111.046 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -60.92 -34.06 74.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.613 -0.267 . . . . 73.41 110.45 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 59.14 -162.12 0.25 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.856 0.687 . . . . 72.12 112.856 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HB3' ' H ' ' A' ' 22' ' ' ARG . 9.6 tptp -145.44 -85.74 0.12 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.497 -0.774 . . . . 75.22 109.399 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 14.3 ttt-85 -106.51 178.89 4.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.25 -1.341 . . . . 72.31 108.784 174.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.404 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 5.5 m-90 -75.62 107.67 7.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.009 0.433 . . . . 75.14 111.434 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.434 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 70.7 m -157.01 33.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.209 -0.663 . . . . 72.32 109.209 175.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 3.6 tp10 -53.37 -49.67 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 74.31 112.696 -170.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.36 -31.05 68.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.114 0.483 . . . . 72.44 110.238 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -75.54 -24.12 56.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.281 -0.872 . . . . 64.31 111.12 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 1.4 mpt_? -49.52 -32.6 12.7 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.024 0.75 . . . . 74.52 113.024 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -61.85 -44.24 97.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 64.53 110.503 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -61.32 -38.69 87.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.057 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.67 -39.09 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.55 -0.75 . . . . 72.11 110.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.76 -40.72 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.956 -0.566 . . . . 71.34 109.682 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.5 mtt180 -65.98 -43.91 86.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.601 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.43 -40.56 87.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 62.34 110.606 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.828 ' HA ' HD13 ' A' ' 39' ' ' ILE . 3.4 tt -61.64 -42.13 98.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.775 -0.648 . . . . 54.32 109.645 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 4.3 tm-20 -65.98 -37.65 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.615 . . . . 74.21 110.371 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 33' ' ' ARG . 92.9 mt -71.71 -48.49 46.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.509 0.559 . . . . 73.22 112.509 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -98.87 -38.4 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.581 . . . . 65.14 112.57 -171.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.828 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.9 mp -83.73 -30.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 72.53 110.259 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.542 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 31.0 m-85 -116.77 56.38 1.57 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.596 174.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.81 -57.14 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.339 1.359 . . . . 73.24 112.661 -169.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -106.18 -22.64 12.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.488 -0.324 . . . . 70.42 111.057 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' HB ' HD11 ' A' ' 56' ' ' LEU . 2.6 pp -107.39 14.65 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.068 0.766 . . . . 74.44 113.068 -167.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -73.04 5.88 16.43 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.004 -0.617 . . . . 71.15 113.208 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 p -82.21 -11.31 58.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 65.51 111.347 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.5 m -92.63 132.55 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.211 0.529 . . . . 61.44 111.885 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.94 165.87 11.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 73.2 109.227 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD23 ' A' ' 51' ' ' LEU . 10.4 tp -60.76 -28.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.709 0.262 . . . . 74.24 111.709 -176.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.868 ' HD3' ' HE2' ' A' ' 7' ' ' TYR . 34.1 ttp180 -70.48 -21.63 62.75 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.011 0.434 . . . . 75.21 110.588 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -133.15 74.7 1.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.419 0.628 . . . . 64.24 109.831 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -97.06 140.17 31.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.405 -0.816 . . . . 74.21 110.053 -176.673 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.23 173.17 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.075 0.464 . . . . 35.33 111.088 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.604 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -92.6 -162.48 0.94 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.718 -0.674 . . . . 55.31 109.836 -178.696 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.604 ' H ' HG22 ' A' ' 53' ' ' THR . 6.2 m -56.96 -7.8 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.992 0.738 . . . . 74.05 112.992 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -67.1 -27.65 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 62.41 109.568 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD11 ' HB ' ' A' ' 43' ' ' ILE . 17.6 tp -66.06 -20.31 66.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.016 -0.993 . . . . 44.32 110.76 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.495 HD12 ' HB ' ' A' ' 60' ' ' ILE . 68.5 tp -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 70.11 111.429 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.634 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -50.43 -52.4 55.4 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.922 0.712 . . . . 72.34 112.922 -176.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.2 Cg_exo -61.82 -38.98 55.58 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.875 1.716 . . . . 73.1 112.969 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.58 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.2 mp -72.39 -24.65 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.159 0.504 . . . . 63.03 110.298 -176.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -68.99 -24.42 64.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 64.31 109.602 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.95 -39.67 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 74.32 111.614 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 60' ' ' ILE . 8.3 p -71.49 -29.06 33.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.683 0.278 . . . . 51.22 110.688 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.54 -49.53 74.96 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.102 0.477 . . . . 63.42 109.793 175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -65.26 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 43.41 110.686 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -62.7 -40.36 96.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.169 -0.468 . . . . 64.33 110.53 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.62 -30.42 0.93 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.083 -1.056 . . . . 55.31 113.481 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.0 mtpt -96.42 82.72 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 61.45 111.282 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -73.8 -30.01 62.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.143 -0.935 . . . . 74.51 110.467 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 21.1 t70 -56.76 -47.68 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 73.32 111.695 -175.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' HD13 ' A' ' 75' ' ' LEU . 52.6 t -59.59 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.456 . . . . 53.5 110.91 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.06 -45.14 79.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.106 -0.497 . . . . 71.14 111.517 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -62.83 -46.65 86.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.055 -0.521 . . . . 64.21 111.268 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -60.28 -32.76 71.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 64.43 111.609 178.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 79' ' ' VAL . 6.7 mp -63.72 -47.68 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.736 -0.211 . . . . 72.51 111.193 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -56.28 -43.69 79.09 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.578 0.704 . . . . 75.0 109.977 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.55 -39.74 73.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.186 -1.37 . . . . 73.4 111.112 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.45 ' O ' HG13 ' A' ' 82' ' ' ILE . 64.5 mtt180 -82.46 -23.58 34.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 74.35 111.61 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 75' ' ' LEU . 86.4 t -66.35 -45.97 88.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 62.41 110.386 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 t -69.55 -29.96 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 73.4 110.019 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.26 -31.92 73.2 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.045 -0.525 . . . . 53.33 110.479 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 78' ' ' ARG . 85.7 mt -76.24 -44.78 36.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 41.31 110.359 173.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.657 ' HG3' HD11 ' A' ' 92' ' ' ILE . 47.6 ttm -60.13 -35.94 76.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 74.44 112.404 -175.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.15 -31.24 70.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.415 0.15 . . . . 74.34 111.33 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -69.19 -40.77 77.88 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.086 0.47 . . . . 72.24 110.19 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 73.45 110.505 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.62 -33.6 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.077 -0.511 . . . . 64.14 110.492 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -63.97 -43.68 95.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.733 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -87.11 6.03 34.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.519 -0.31 . . . . 71.33 111.197 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.36 35.85 14.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.485 0.66 . . . . 42.51 110.987 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -76.3 -45.59 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.3 -0.629 . . . . 75.32 109.3 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.657 HD11 ' HG3' ' A' ' 83' ' ' MET . 37.8 pt -130.55 148.82 33.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.521 -0.763 . . . . 71.14 109.952 177.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -112.88 -22.89 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.242 0.544 . . . . 74.11 110.186 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.464 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 18.7 m -92.11 138.25 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 71.15 110.537 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.412 ' HB3' ' OG ' ' A' ' 98' ' ' SER . 16.9 m120 -115.78 85.26 14.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.465 -0.334 . . . . 73.31 110.418 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 94' ' ' SER . 6.1 Cg_exo -79.0 -35.39 0.94 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.797 2.331 . . . . 41.44 112.878 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.07 -2.31 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.34 -0.391 . . . . 24.24 111.741 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.412 ' OG ' ' HB3' ' A' ' 95' ' ' ASN . 50.0 m -74.4 -10.0 59.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.38 . . . . 61.53 111.334 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -100.89 -4.14 28.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.049 0.452 . . . . 62.41 110.57 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.577 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 80.2 mtp -62.57 -39.19 92.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.972 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.05 10.27 17.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 64.14 111.039 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.29 -59.21 3.4 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.831 -0.699 . . . . 42.45 111.704 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.58 115.75 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 72.15 110.538 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.619 ' H ' HD23 ' A' ' 104' ' ' LEU . 1.7 pt? -115.11 -7.8 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.104 0.478 . . . . 72.33 110.301 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 m -93.37 3.27 55.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.803 -0.635 . . . . 73.0 110.525 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -77.06 99.16 5.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.418 0.627 . . . . 73.32 111.071 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 77.7 p -110.5 -173.5 2.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.27 -0.877 . . . . 72.53 110.256 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.623 ' HE3' ' N ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER 78.35 144.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.554 0.741 . . . . 65.43 111.8 178.687 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -178.04 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.716 -1.129 . . . . 51.21 110.243 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -115.63 164.57 14.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.679 -0.692 . . . . 73.11 110.542 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -114.79 -172.1 2.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 63.42 109.214 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -73.61 141.83 80.03 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.109 -0.237 . . . . 73.15 110.504 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -47.68 144.55 10.74 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.786 2.991 . . . . 33.03 113.377 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.674 ' H ' HD23 ' A' ' 114' ' ' LEU . 2.1 pt? -66.41 -33.46 75.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.917 -1.038 . . . . 72.12 110.882 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.25 134.59 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.788 -0.449 . . . . 74.42 109.788 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -144.28 1.45 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.864 -0.607 . . . . 54.24 109.742 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -88.18 -174.78 4.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 73.25 110.663 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -140.04 107.93 5.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.93 -0.577 . . . . 73.41 110.015 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -76.3 125.81 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 74.34 109.889 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -77.19 57.89 1.5 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.007 0.432 . . . . 71.14 111.523 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.549 -0.739 . . . . 63.31 109.563 176.441 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.525 0.678 . . . . 71.4 109.788 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 p -74.47 -179.31 3.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.069 -0.968 . . . . 62.3 112.902 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.693 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 t80 -57.74 -25.82 60.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.91 -1.041 . . . . 63.11 111.384 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.36 -54.91 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 62.41 111.774 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.6 m -73.08 -30.69 63.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.883 -0.599 . . . . 73.11 111.79 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.87 -34.31 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.996 0.427 . . . . 74.13 110.441 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB2' HD11 ' A' ' 82' ' ' ILE . . . -67.58 -31.9 72.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.222 0.534 . . . . 74.22 110.732 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.526 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 5.2 tmm_? -72.95 -34.6 66.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 72.2 110.056 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 55.5 mm-40 -56.58 -54.1 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.598 0.592 . . . . 74.13 112.598 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.796 ' HE1' HG12 ' A' ' 82' ' ' ILE . 38.1 p-90 -77.19 -24.99 51.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.34 -0.544 . . . . 75.13 111.073 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 25' ' ' GLU . 45.0 t60 -67.02 -34.03 76.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.48 0.548 . . . . 65.43 112.48 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.83 -10.58 54.1 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.101 0.408 . . . . 72.42 112.101 -172.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 -4.46 56.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.277 0.561 . . . . 74.34 109.831 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 63.07 92.87 0.06 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.733 -1.121 . . . . 64.35 111.345 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 3.0 tmtp? -104.58 -35.15 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.603 -0.726 . . . . 61.03 109.545 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HG2' ' H ' ' A' ' 23' ' ' TRP . 26.7 ttt180 -141.33 169.0 18.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.458 -0.571 . . . . 72.34 109.458 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.434 ' HE3' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -102.07 -172.13 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.426 0.454 . . . . 73.24 111.645 -172.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.434 ' HB2' ' HE3' ' A' ' 23' ' ' TRP . 12.6 t 71.95 22.88 3.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.485 -0.78 . . . . 74.23 110.731 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' A' ' 17' ' ' HIS . 10.4 pt-20 -69.45 -27.23 65.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.658 . . . . 73.12 111.519 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.9 -39.27 77.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.943 -0.571 . . . . 60.14 111.19 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.7 t-80 -76.13 -28.49 57.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 74.53 111.04 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.431 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 7.5 mmt180 -62.7 -23.6 67.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.422 -0.808 . . . . 73.02 112.245 -171.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -55.06 -47.63 74.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.721 0.296 . . . . 64.12 110.726 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -82.57 -42.08 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 70.52 110.855 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' HIS . 61.1 t -57.92 -22.25 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 115.875 -0.602 . . . . 73.21 111.775 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -50.56 -41.82 54.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 42.2 111.429 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.07 -48.78 79.1 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 74.4 111.298 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.99 -36.75 80.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 43.3 110.424 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.548 ' O ' HG22 ' A' ' 39' ' ' ILE . 1.9 tm? -67.12 -58.14 5.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.735 -0.666 . . . . 63.54 110.549 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 11.0 mm-40 -53.81 -39.54 65.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.94 0.4 . . . . 74.12 111.637 -175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.11 -38.91 89.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.069 -0.514 . . . . 73.15 111.578 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.67 -22.06 18.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 74.23 112.493 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 75' ' ' LEU . 8.2 tp -82.66 -30.72 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.466 -0.494 . . . . 54.32 110.28 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' CD2' HG23 ' A' ' 39' ' ' ILE . 8.6 m-85 -122.33 71.07 34.69 Favored Pre-proline 0 C--N 1.331 -0.209 0 N-CA-C 109.771 -0.455 . . . . 65.52 109.771 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.1 Cg_endo -81.6 -55.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.624 2.216 . . . . 60.41 112.231 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -101.91 -2.44 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.027 -0.533 . . . . 73.02 109.907 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.572 HG21 ' HB2' ' A' ' 56' ' ' LEU . 37.1 pt -121.68 13.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.713 -0.676 . . . . 71.43 111.328 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.93 10.99 30.16 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.659 -0.781 . . . . 74.44 112.539 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -107.61 9.85 29.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.787 0.327 . . . . 65.14 111.186 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -116.67 157.29 25.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.809 0.338 . . . . 55.31 111.188 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.79 161.39 16.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 72.25 110.238 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 9' ' ' PHE . 9.4 tt -63.75 -26.66 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 74.42 111.158 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -87.12 7.69 26.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.39 -0.368 . . . . 73.01 111.117 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -141.3 71.91 1.37 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.806 0.813 . . . . 61.22 110.644 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.2 mm? -95.37 162.07 13.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.114 -0.948 . . . . 65.04 109.643 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -123.4 176.48 6.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.541 -0.3 . . . . 73.03 111.037 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.824 HG22 ' H ' ' A' ' 54' ' ' SER . 2.1 m -72.9 -165.14 0.2 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.727 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.824 ' H ' HG22 ' A' ' 53' ' ' THR . 13.9 m -70.46 15.88 0.09 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.232 0.827 . . . . 54.44 113.232 -171.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -73.88 -28.44 61.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.839 -0.8 . . . . 63.32 108.839 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.572 ' HB2' HG21 ' A' ' 43' ' ' ILE . 3.3 pp -71.39 -13.69 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.933 -1.031 . . . . 74.2 111.792 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 60' ' ' ILE . 59.8 tp -72.78 -17.52 61.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 71.12 111.204 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.85 -53.09 61.69 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.01 0.744 . . . . 74.25 113.01 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 25.0 Cg_endo -63.72 -28.21 68.56 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.744 1.629 . . . . 70.41 113.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' ' 63' ' ' VAL . 42.8 mm -71.33 -24.78 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.728 0.775 . . . . 60.42 109.45 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 7.0 tmtm? -70.18 -24.24 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.305 -0.861 . . . . 53.11 109.73 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.14 -48.33 80.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 70.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.6 p -71.74 -28.66 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.227 0.536 . . . . 71.44 110.274 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.802 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 2.9 t70 -57.24 -42.34 81.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 52.33 110.038 173.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -66.7 -24.86 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.508 -0.769 . . . . 62.02 111.824 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -72.15 -5.07 32.91 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.753 0.311 . . . . 75.51 111.626 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.62 -3.76 65.82 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.698 -0.763 . . . . 63.01 111.51 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.63 ' O ' HG22 ' A' ' 71' ' ' VAL . 9.6 mmpt? -98.88 26.21 5.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.125 -0.695 . . . . 75.12 109.125 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.802 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.1 p80 -51.15 -24.82 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.762 -1.108 . . . . 64.44 113.554 -171.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 17.1 t70 -64.86 -32.31 73.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.7 0.286 . . . . 70.32 110.979 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 68' ' ' LYS . 14.0 m -65.93 -32.78 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.557 -0.292 . . . . 54.34 110.922 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.47 82.2 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.951 0.405 . . . . 62.52 110.692 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.555 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.3 mm-40 -64.09 -44.1 93.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.746 -0.661 . . . . 41.3 110.719 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 20.8 mmt180 -60.96 -34.63 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 63.14 110.484 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.685 ' HB3' HD13 ' A' ' 39' ' ' ILE . 98.5 mt -73.51 -51.12 18.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 74.32 111.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.555 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 18.2 pt20 -58.66 -38.19 77.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 65.11 111.834 -175.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 27.4 mt-30 -53.28 -28.12 26.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 71.44 112.149 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.53 ' NH1' HD12 ' A' ' 35' ' ' LEU . 67.9 ttt180 -64.55 -53.89 40.84 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.935 -0.306 . . . . 74.41 110.827 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.52 ' HA ' ' HZ ' ' A' ' 9' ' ' PHE . 15.0 p -70.3 -35.46 62.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 121.004 -0.279 . . . . 72.11 110.802 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -64.18 -45.89 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.03 110.861 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.74 -50.01 54.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 64.31 111.176 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.796 HG12 ' HE1' ' A' ' 16' ' ' TRP . 61.9 mt -60.07 -40.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.356 . . . . 74.53 111.361 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.5 ttm -62.08 -29.06 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 73.32 110.95 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 27.0 mmt180 -68.73 -39.93 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.694 -0.23 . . . . 71.44 110.542 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -68.19 -34.21 75.85 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.627 -0.509 . . . . 74.41 109.627 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.657 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 75.14 111.191 177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 75.9 t -74.65 -34.4 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.238 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.82 -28.08 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 71.32 110.4 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -89.74 -5.78 56.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 75.13 110.314 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.382 -0.826 . . . . 45.11 112.892 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 86' ' ' ALA . 52.8 p90 -98.35 -2.08 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.979 -0.689 . . . . 72.5 111.521 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.7 pt -114.31 -18.73 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.474 -0.33 . . . . 65.42 110.311 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 t70 71.16 -57.39 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.361 -0.836 . . . . 74.43 112.254 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.9 t -92.94 178.43 5.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.778 0.323 . . . . 70.11 110.534 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 98' ' ' SER . 3.2 t-20 -124.75 86.58 55.79 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 116.324 -0.398 . . . . 72.3 110.047 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.94 -52.39 7.48 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.142 2.561 . . . . 72.54 113.007 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' A' ' 100' ' ' MET . . . -100.71 84.61 2.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 44.35 110.379 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.44 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 14.9 t -77.67 -23.34 49.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.314 -0.857 . . . . 70.23 110.313 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -123.66 -66.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.927 -0.579 . . . . 64.41 110.064 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.636 ' HB2' ' HB1' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 58.42 86.39 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.528 -0.76 . . . . 64.21 111.386 178.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.51 ' HB3' ' NE2' ' A' ' 76' ' ' GLN . . . . . . . . 0 C--O 1.235 0.319 0 CA-C-N 115.621 -0.718 . . . . 74.22 111.644 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 121.338 0.59 . . . . 64.14 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 9' ' ' PHE . 1.9 m -100.99 -170.43 1.84 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.305 -0.861 . . . . 62.12 109.05 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.824 ' HA ' HD12 ' A' ' 48' ' ' ILE . 56.3 t80 -48.87 -41.77 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.797 0.439 . . . . 75.12 111.723 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.497 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -64.3 -32.22 73.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.608 0.595 . . . . 74.01 112.608 -176.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.2 m -67.46 -43.06 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 72.3 111.024 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.44 -37.21 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.067 0.461 . . . . 54.33 110.193 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -61.0 -42.58 98.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 52.42 111.895 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 14' ' ' ARG . 2.4 ptm180 -72.41 -28.48 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.828 -175.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.26 -60.16 3.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.603 -0.726 . . . . 74.3 111.688 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HE1' HD13 ' A' ' 82' ' ' ILE . 59.4 p-90 -80.98 -23.67 38.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.514 . . . . 74.04 111.283 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.646 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 2.0 t-80 -49.54 -27.99 5.03 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.83 0.678 . . . . 70.1 112.83 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.01 -42.73 72.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.082 0.468 . . . . 75.13 110.93 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 m -70.54 -22.84 62.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 65.04 110.909 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.48 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -83.95 -80.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 71.14 109.61 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tptt 177.69 143.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 73.55 109.988 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 73.67 115.78 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.482 0.919 . . . . 63.23 113.482 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 p90 -121.84 137.15 54.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.932 -1.031 . . . . 72.23 108.268 166.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.425 ' HB3' ' HB2' ' A' ' 27' ' ' HIS . 50.9 m -153.13 54.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 71.54 111.407 -174.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -58.93 -35.16 72.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.235 -0.438 . . . . 75.14 111.512 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.83 -35.9 82.59 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.17 0.51 . . . . 73.24 110.79 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 24' ' ' SER . 13.3 m170 -75.14 -28.81 60.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 70.14 110.653 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.28 -32.14 10.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.215 -0.902 . . . . 64.55 112.544 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 t -65.89 -52.27 51.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.662 0.245 . . . . 72.32 111.662 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -83.94 -33.76 24.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.243 0.46 . . . . 73.13 112.243 -177.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.61 -20.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.716 0.293 . . . . 75.44 111.586 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.96 -26.77 16.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.17 -0.468 . . . . 44.14 111.786 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -56.08 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 73.3 110.295 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -71.92 -26.56 62.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.402 -0.363 . . . . 72.35 110.574 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' HB ' ' A' ' 39' ' ' ILE . 2.6 tm? -51.77 -54.38 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.778 -0.646 . . . . 72.13 110.446 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.76 -28.69 61.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.096 0.406 . . . . 73.3 112.096 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.38 -47.43 76.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.393 . . . . 71.53 111.785 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.524 ' HD1' ' H ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -114.98 -15.11 11.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 72.03 111.712 -175.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.512 HG22 ' CD2' ' A' ' 40' ' ' PHE . 48.9 mm -115.1 114.48 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.416 -0.957 . . . . 75.13 108.416 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 69.1 m-85 71.29 54.42 0.39 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.525 -1.216 . . . . 73.11 110.756 -174.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 23.8 Cg_exo -63.57 -57.83 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.535 1.49 . . . . 73.41 111.412 -176.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 -41.03 5.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.188 0.518 . . . . 72.52 110.694 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.464 ' H ' HG13 ' A' ' 43' ' ' ILE . 2.4 pp -78.77 15.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.047 0.758 . . . . 71.42 113.047 -172.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.573 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -66.18 -11.63 55.95 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.868 -0.682 . . . . 52.41 113.15 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 m -96.5 15.02 22.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.31 . . . . 65.1 111.136 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.548 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 18.9 m -107.99 140.74 40.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 74.31 111.35 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.557 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 9.0 t0 -74.09 148.41 41.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 74.23 109.644 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 9' ' ' PHE . 11.7 tt -71.6 -28.09 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.014 0.435 . . . . 75.43 111.127 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.557 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 23.9 ptt180 -76.23 -21.52 56.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.457 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -132.15 77.38 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.525 0.678 . . . . 43.42 109.986 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tp -88.99 162.69 15.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.083 -0.962 . . . . 73.34 109.191 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HE2' ' OG ' ' A' ' 46' ' ' SER . 3.6 mptp? -79.84 174.8 11.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 74.25 110.613 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.773 HG22 ' H ' ' A' ' 54' ' ' SER . 1.8 m -82.93 -162.6 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 73.2 108.733 173.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.773 ' H ' HG22 ' A' ' 53' ' ' THR . 3.0 m -49.56 -18.01 0.38 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.155 0.798 . . . . 75.54 113.155 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -55.77 -29.55 59.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.548 0.339 . . . . 73.33 111.256 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -65.07 -15.3 62.21 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.262 -0.426 . . . . 74.35 111.782 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.79 -14.81 59.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.333 . . . . 71.25 111.243 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -53.15 -52.61 64.15 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.887 0.699 . . . . 71.44 112.887 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 22.6 Cg_endo -63.11 -27.58 73.42 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 61.45 112.931 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.593 ' HA ' HG22 ' A' ' 63' ' ' VAL . 2.6 mp -69.08 -25.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.271 -0.64 . . . . 75.24 109.271 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 45.9 mmtt -70.54 -32.14 69.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.33 0.586 . . . . 74.43 110.484 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 59' ' ' PRO . 37.5 mt-10 -67.74 -41.27 83.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.828 -0.624 . . . . 72.14 110.155 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 60' ' ' ILE . 33.5 m -77.82 -29.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 63.04 111.787 -178.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -42.19 64.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.615 -0.513 . . . . 71.31 109.615 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -66.84 -16.37 64.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.407 0.622 . . . . 54.51 110.22 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -81.71 4.5 21.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 72.0 110.995 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.45 2.54 27.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.316 -0.945 . . . . 74.14 113.003 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -104.98 65.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.243 0.544 . . . . 72.43 110.645 178.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -70.92 -49.71 42.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 74.34 111.031 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 3.8 m-20 -66.53 -40.94 89.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.029 0.442 . . . . 73.35 110.033 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.744 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 59.4 t -56.73 -43.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.29 -0.868 . . . . 74.4 111.554 -176.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -53.44 -57.17 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.313 . . . . 72.13 111.626 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -60.35 -48.05 83.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 73.11 111.179 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 42.7 mtp180 -60.23 -34.95 74.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 75.0 111.288 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 38' ' ' TYR . 6.3 mp -73.23 -48.74 32.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.814 -0.176 . . . . 73.42 111.344 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.526 ' HA ' HG12 ' A' ' 79' ' ' VAL . 17.0 pt20 -64.39 -35.35 80.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 75.23 111.202 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.13 -33.11 70.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.683 -0.69 . . . . 62.15 110.792 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.76 -40.1 19.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 75.22 112.09 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 76' ' ' GLN . 12.3 p -64.13 -34.11 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.893 0.331 . . . . 72.53 111.893 -174.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.8 t -71.0 -30.61 66.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.976 0.417 . . . . 61.33 110.401 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.77 71.86 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.256 -0.429 . . . . 21.5 110.418 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 9' ' ' PHE . 27.6 mm -59.73 -53.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.521 0.677 . . . . 60.42 110.119 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.635 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 49.8 ttm -63.18 -39.75 95.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.852 -1.067 . . . . 73.44 110.791 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -64.36 -36.71 85.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 62.33 111.148 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.059 0.457 . . . . 74.41 109.872 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.35 83.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 74.24 111.272 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 44.9 t -74.94 -33.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 62.21 110.633 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -60.89 -41.3 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.049 -0.723 . . . . 72.3 109.049 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -15.27 60.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.492 -0.776 . . . . 62.02 111.036 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 t70 64.25 29.83 13.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.058 0.932 . . . . 71.32 109.419 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -81.34 -32.68 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.988 -1.005 . . . . 74.43 110.712 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.71 -171.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 72.53 110.119 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -98.26 -43.14 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.291 0.478 . . . . 63.12 112.291 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -151.81 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.771 0.319 . . . . 70.2 111.021 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 1.035 ' HB3' ' HB2' ' A' ' 98' ' ' SER . 14.4 m120 -116.09 85.84 15.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 73.33 111.024 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.635 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 23.6 Cg_exo -64.85 -39.96 23.48 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.516 2.144 . . . . 44.4 112.302 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.433 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . -116.39 43.9 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.093 0.473 . . . . 72.21 111.034 -177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 1.035 ' HB2' ' HB3' ' A' ' 95' ' ' ASN . 8.2 t -76.49 -46.95 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.352 -0.611 . . . . 23.11 109.352 177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -111.49 88.0 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 34.24 109.821 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.433 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.1 ppp? -135.36 -15.44 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 74.13 111.024 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 54.33 111.438 -176.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.231 0.539 . . . . 74.41 110.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.57 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 18.9 m -119.87 150.23 40.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.628 -0.715 . . . . 74.52 110.427 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.673 ' HA ' HD12 ' A' ' 48' ' ' ILE . 37.5 t80 -50.75 -50.68 55.15 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.666 0.604 . . . . 74.13 111.515 -178.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -73.75 -31.87 63.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 63.32 111.631 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.57 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 16.1 m -65.17 -39.68 93.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.298 -0.41 . . . . 75.32 111.133 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.496 HD12 HD13 ' A' ' 48' ' ' ILE . 50.3 mt -72.37 -28.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.944 0.402 . . . . 71.41 110.433 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.25 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 74.1 111.844 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 15.1 ptm180 -76.85 -32.89 57.84 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.763 -0.375 . . . . 73.34 110.877 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -54.91 -53.35 56.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.728 -0.669 . . . . 73.31 111.92 -172.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -79.41 -26.19 41.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.47 -0.492 . . . . 74.24 111.346 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -75.08 -24.67 58.2 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.324 0.49 . . . . 71.33 112.324 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 37.0 mt-10 -63.83 4.45 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.716 1.006 . . . . 72.24 113.716 -174.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -74.0 -7.34 52.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.448 0.642 . . . . 72.31 109.474 168.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 70.53 91.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.586 -1.188 . . . . 75.3 112.044 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 58.9 mmtt -113.44 92.62 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.166 -0.924 . . . . 73.24 109.569 168.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.66 -73.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.459 -1.246 . . . . 54.31 112.134 -178.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -64.14 127.1 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 73.52 111.57 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.8 m -86.7 164.7 16.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.635 . . . . 43.35 110.578 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -68.13 -33.38 74.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.669 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -56.01 -50.6 70.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 73.05 110.781 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 30' ' ' ARG . 78.8 m-70 -73.89 -27.74 61.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.698 -0.683 . . . . 73.22 110.705 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.479 ' NH1' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.06 -41.86 68.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.002 0.429 . . . . 75.51 110.11 175.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -75.81 -41.67 52.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 72.03 110.689 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 24.8 mtt180 -57.03 -51.67 68.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.505 . . . . 51.13 111.402 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.22 -14.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 74.41 112.165 -173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD13 ' NH1' ' A' ' 28' ' ' ARG . 52.6 tp -50.54 -37.45 39.44 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.823 0.675 . . . . 74.43 112.823 -172.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -61.5 -50.57 72.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.243 0.544 . . . . 73.03 110.176 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -70.98 -28.79 64.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 70.23 110.427 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.33 -51.74 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 72.43 110.582 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.3 pt-20 -72.75 -30.68 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.378 -0.529 . . . . 63.52 110.803 -177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.08 -23.77 63.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 74.42 111.013 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -100.56 -44.86 5.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 71.41 111.085 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.611 HD11 HD12 ' A' ' 75' ' ' LEU . 69.2 mt -96.69 -29.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.129 0.418 . . . . 74.51 112.129 -173.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 93.8 m-85 -120.27 68.53 13.93 Favored Pre-proline 0 CA--C 1.534 0.33 0 O-C-N 122.024 -0.423 . . . . 73.54 111.841 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 3.2 Cg_exo -74.94 -57.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.628 1.552 . . . . 75.33 111.663 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -105.49 -28.19 10.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.524 . . . . 45.31 110.953 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.2 pt -87.04 8.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 112.523 0.564 . . . . 74.12 112.523 -168.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -81.49 -5.21 90.12 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.691 -0.766 . . . . 70.01 111.989 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 p -85.59 -11.74 53.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.405 . . . . 65.51 110.666 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -69.19 140.93 54.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.842 -0.617 . . . . 71.3 110.826 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -96.5 150.14 20.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 9' ' ' PHE . 16.3 tt -67.48 -19.56 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.006 0.432 . . . . 64.53 111.234 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.64 -31.84 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.974 0.416 . . . . 75.44 110.416 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.25 89.44 2.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.413 -0.588 . . . . 74.41 109.413 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.74 161.54 13.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.918 -0.583 . . . . 63.02 109.629 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -105.93 172.47 6.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.106 0.479 . . . . 72.42 111.577 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.609 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -87.01 -160.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 74.13 111.653 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.438 ' H ' ' HB ' ' A' ' 53' ' ' THR . 4.6 m -59.11 5.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.213 1.19 . . . . 75.32 114.213 -172.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -69.33 -29.58 67.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.415 0.626 . . . . 74.14 109.601 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 53' ' ' THR . 3.2 pp -77.14 -12.5 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.446 -0.797 . . . . 71.23 111.248 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 100' ' ' MET . 61.0 tp -70.47 -26.48 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.44 111.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.65 -50.94 84.11 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.041 0.386 . . . . 74.41 112.041 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.4 Cg_exo -50.15 -47.66 23.05 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.675 2.25 . . . . 74.33 113.574 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 76' ' ' GLN . 47.5 mm -63.68 -33.49 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.624 0.726 . . . . 74.21 110.101 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 57.9 mmtt -69.98 -23.41 63.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.26 -0.882 . . . . 75.21 111.906 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' OE2' ' HA ' ' A' ' 59' ' ' PRO . 55.0 mt-10 -54.24 -38.91 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.177 0.513 . . . . 71.44 110.044 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.74 -48.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 73.04 110.247 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.26 -37.31 62.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.075 -0.966 . . . . 74.1 111.337 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.3 m -63.98 -38.42 91.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.986 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 -41.7 72.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.604 0.716 . . . . 74.0 109.397 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 -146.31 14.29 Favored Glycine 0 N--CA 1.43 -1.728 0 N-CA-C 108.852 -1.699 . . . . 60.31 108.852 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 54.03 30.8 12.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.211 0.529 . . . . 73.02 111.018 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -61.42 -33.71 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.305 -0.861 . . . . 75.0 111.59 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.98 -53.16 22.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.768 0.318 . . . . 72.12 110.835 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.36 -34.48 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.099 -0.5 . . . . 64.43 110.771 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.44 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.665 0.269 . . . . 62.14 110.705 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.48 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -62.0 -43.64 98.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.163 0.506 . . . . 61.44 111.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 20.1 tpt180 -64.57 -38.49 91.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.112 -0.495 . . . . 64.34 111.1 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.611 HD12 HD11 ' A' ' 39' ' ' ILE . 3.3 mm? -73.7 -43.95 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.206 0.447 . . . . 74.24 112.206 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 16.7 pt20 -56.67 -34.48 67.42 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 74.4 110.966 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -52.78 -23.77 7.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.984 -1.007 . . . . 73.13 112.45 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.47 ' O ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -60.2 -34.07 73.12 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.114 0.483 . . . . 54.1 110.405 179.374 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.86 -40.19 78.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 74.11 109.773 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -66.85 -34.51 77.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.573 -0.739 . . . . 65.35 110.674 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 74.35 110.602 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 78' ' ' ARG . 46.8 mm -61.67 -41.96 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 61.35 110.294 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.62 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 4.7 mmt -57.94 -33.02 68.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 73.44 111.483 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -60.95 -58.88 6.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.995 -0.372 . . . . 72.35 109.995 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.74 -34.76 78.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 73.53 110.505 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 64.43 111.553 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.529 HG21 ' HA ' ' A' ' 95' ' ' ASN . 61.2 t -72.05 -32.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.359 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -66.14 -24.42 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.769 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.437 ' HB3' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -76.34 -3.7 38.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.635 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 66.01 25.99 10.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.385 0.883 . . . . 74.22 113.385 170.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.476 ' CD1' HG23 ' A' ' 92' ' ' ILE . 31.8 p90 -103.93 -10.14 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.655 -0.818 . . . . 74.24 111.345 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 91' ' ' TYR . 17.8 pt -140.51 142.47 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 45.44 110.552 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.35 87.24 2.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.081 0.467 . . . . 72.21 110.676 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.0 m -161.4 -52.0 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.465 -0.789 . . . . 74.03 109.966 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.529 ' HA ' HG21 ' A' ' 87' ' ' VAL . 0.2 OUTLIER 60.6 79.28 0.29 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.398 -0.819 . . . . 74.14 110.86 -176.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.62 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 5.6 Cg_exo -78.91 -167.41 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.066 2.51 . . . . 52.05 111.394 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.13 6.82 3.72 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.711 -0.677 . . . . 74.42 111.959 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 p -66.26 -41.41 89.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.069 0.462 . . . . 73.53 111.024 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -90.57 -7.57 52.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 74.12 110.094 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.483 ' HG2' ' HB2' ' A' ' 57' ' ' LEU . 1.7 tmt? -73.38 -51.43 17.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 61.43 110.02 -177.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.971 -0.559 . . . . 52.31 109.558 174.585 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 121.58 0.705 . . . . 74.43 110.189 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 10' ' ' GLU . 10.2 m -103.99 143.08 33.35 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.675 -0.693 . . . . 72.31 110.285 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.845 ' HA ' HD12 ' A' ' 48' ' ' ILE . 54.1 t80 -58.8 -37.7 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 71.52 110.602 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 27.9 tt0 -66.22 -46.22 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 74.34 111.826 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -62.04 -39.6 92.9 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.417 0.525 . . . . 71.43 112.417 -173.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.663 HD12 HD13 ' A' ' 48' ' ' ILE . 59.6 mt -74.17 -36.0 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.869 0.366 . . . . 74.15 110.448 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.18 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.947 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.3 mtt180 -55.87 -46.49 78.26 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.091 -0.504 . . . . 75.25 111.218 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -58.25 8.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 62.52 112.082 -165.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -75.24 -33.92 61.36 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.312 -0.404 . . . . 74.01 111.427 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -72.45 -27.98 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.988 0.366 . . . . 53.4 111.988 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.1 mt-10 -68.1 1.0 3.06 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.021 0.378 . . . . 75.04 112.021 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -67.22 -24.15 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 71.52 109.234 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.68 90.1 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.089 -0.96 . . . . 64.24 108.786 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -156.17 145.43 20.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 75.45 111.191 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -163.15 81.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.035 -0.53 . . . . 75.2 110.117 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 44.82 57.18 4.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.411 -0.813 . . . . 75.22 112.591 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -115.22 17.76 16.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.402 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.1 tp10 -69.55 -40.18 76.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.773 -0.649 . . . . 74.13 111.87 -172.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.12 -50.09 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.849 0.315 . . . . 65.0 111.849 -172.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -74.8 -26.86 60.03 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.487 -0.485 . . . . 72.21 111.555 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HG12 ' A' ' 31' ' ' VAL . 3.7 ppt_? -72.61 -24.29 61.05 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.541 -0.464 . . . . 75.23 110.42 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.0 m -70.23 -28.07 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 35.34 110.625 175.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 30' ' ' ARG . 32.0 mtt180 -82.13 -48.86 10.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.371 0.605 . . . . 64.3 109.996 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 28' ' ' ARG . 8.9 p -67.95 -13.08 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.361 -0.836 . . . . 71.13 111.155 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 36.9 tp -50.65 -32.56 19.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.098 -0.501 . . . . 55.44 111.462 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -55.83 -43.68 77.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.166 0.508 . . . . 64.42 110.802 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -68.59 -40.44 80.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.555 -0.748 . . . . 74.43 110.14 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.91 -51.45 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 73.35 110.255 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 49.2 mt-10 -59.32 -41.97 90.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 51.31 111.444 -178.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 tp -70.83 -36.66 73.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.479 . . . . 70.23 112.281 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -96.39 -26.88 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 49.0 mm -92.25 -31.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.737 -0.385 . . . . 71.31 111.081 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -128.9 61.99 59.31 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 63.53 111.18 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.9 Cg_endo -80.22 -58.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.948 1.765 . . . . 73.21 112.506 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -107.83 -2.85 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 75.33 110.585 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG23 ' HG2' ' A' ' 59' ' ' PRO . 27.0 pt -123.6 13.45 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.982 0.734 . . . . 54.42 112.982 -166.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.4 -9.24 72.83 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.672 -0.775 . . . . 52.24 113.404 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 p -90.67 8.64 33.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.766 -0.255 . . . . 60.25 111.683 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -93.47 151.47 19.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.722 0.296 . . . . 54.33 111.542 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.651 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 17.5 t70 -87.96 160.73 17.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 74.04 109.999 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 9' ' ' PHE . 15.3 tt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 112.466 0.543 . . . . 74.45 112.466 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.651 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 35.5 ptt-85 -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.149 -0.62 . . . . 73.1 111.016 -175.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -146.23 80.05 1.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.525 0.679 . . . . 74.42 109.216 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.38 150.91 33.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.24 -0.891 . . . . 74.4 109.681 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -97.56 175.3 6.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.898 0.38 . . . . 73.52 111.541 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -163.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 62.11 112.287 -176.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 6.9 m -65.56 4.7 0.52 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.599 -0.728 . . . . 72.3 112.517 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -63.6 -28.02 69.64 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 108.244 -1.021 . . . . 74.31 108.244 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.09 -17.34 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.255 -1.339 . . . . 75.44 110.979 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HG ' ' HD3' ' A' ' 61' ' ' LYS . 50.7 tp -80.38 -22.67 41.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 72.11 112.065 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.611 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -49.91 -51.64 59.22 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.008 0.744 . . . . 71.13 113.008 -175.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 47.4 Cg_exo -59.4 -38.47 83.86 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.101 1.867 . . . . 71.11 113.086 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.692 HG21 HE21 ' A' ' 76' ' ' GLN . 3.0 mp -66.09 -28.0 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 70.33 110.158 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.619 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 2.3 mmmp? -69.37 -29.52 67.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.899 0.857 . . . . 43.33 109.698 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.13 -29.51 65.34 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.395 -1.275 . . . . 74.03 109.88 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.99 -47.07 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 61.33 111.111 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.771 ' HB2' ' HA ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -63.71 -35.16 79.64 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.498 -0.319 . . . . 70.32 110.862 -176.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.9 m -63.5 -21.62 66.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.031 0.443 . . . . 73.43 111.221 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 m -76.21 -9.55 58.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.424 -0.353 . . . . 73.45 111.054 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.14 -45.36 1.08 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.454 -0.879 . . . . 44.45 113.023 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.676 ' HB3' HG12 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -81.86 78.97 8.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.644 0.735 . . . . 61.51 111.457 -176.406 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.771 ' HA ' ' HB2' ' A' ' 64' ' ' ASP . 33.5 t-80 -73.48 -48.98 29.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.701 -1.136 . . . . 74.01 111.377 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.11 -45.25 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 64.3 112.584 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.676 HG12 ' HB3' ' A' ' 68' ' ' LYS . 9.8 p -60.36 -33.91 55.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.694 0.283 . . . . 74.35 110.672 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.61 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.974 0.416 . . . . 44.42 110.352 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -65.51 -44.72 86.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 51.42 111.056 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.66 -39.35 91.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 70.32 110.481 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 HG22 ' A' ' 71' ' ' VAL . 7.2 mp -74.1 -46.31 43.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 74.3 112.199 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.692 HE21 HG21 ' A' ' 60' ' ' ILE . 3.0 pt20 -61.25 -36.16 79.22 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.022 0.379 . . . . 74.41 112.022 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -20.3 2.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.662 -0.699 . . . . 75.34 112.459 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.8 ptp180 -58.04 -33.01 68.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.788 0.292 . . . . 72.22 111.788 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 76' ' ' GLN . 35.3 m -59.89 -35.74 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 53.44 111.48 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -69.28 -37.41 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.46 . . . . 63.2 110.198 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.32 79.83 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.894 -0.594 . . . . 72.2 110.411 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 78' ' ' ARG . 42.8 mm -58.54 -50.48 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.99 -0.55 . . . . 55.54 110.095 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.509 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 24.0 mmt -60.08 -39.09 84.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 75.13 111.134 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -61.17 -46.53 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 75.22 110.956 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -73.17 -41.03 64.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.907 0.384 . . . . 70.12 110.802 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.584 ' HB1' HG23 ' A' ' 92' ' ' ILE . . . -62.71 -38.22 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 53.23 111.718 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.547 ' HB ' HD11 ' A' ' 92' ' ' ILE . 5.5 p -72.14 -31.78 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.21 0.528 . . . . 75.41 110.0 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.11 69.72 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.254 -0.884 . . . . 60.53 110.216 -176.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -98.38 12.9 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.438 -0.801 . . . . 64.23 110.757 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 62.22 30.22 17.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.431 0.53 . . . . 74.43 112.431 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -86.57 -49.02 7.85 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.766 -0.374 . . . . 74.51 111.816 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 49' ' ' ARG . 39.1 pt -88.29 163.85 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 64.44 112.206 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.79 -59.01 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 63.52 111.007 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' HD12 ' A' ' 92' ' ' ILE . 1.7 p -131.84 173.67 10.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 51.13 110.77 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.51 88.16 7.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 75.31 111.558 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.509 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 94.9 Cg_endo -87.27 -171.34 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.775 2.317 . . . . 71.23 111.397 174.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.7 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 70.79 -2.44 2.28 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.475 0.546 . . . . 70.31 112.475 175.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 53.11 110.616 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.09 15.02 10.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.878 0.847 . . . . 72.2 109.027 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.7 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 23.8 ttt -71.11 -31.62 68.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.275 -0.875 . . . . 72.34 110.657 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.827 -0.624 . . . . 62.11 110.055 178.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.122 0.487 . . . . 64.43 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.701 ' HB ' ' OE1' ' A' ' 10' ' ' GLU . 1.2 m -115.55 -177.03 3.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.764 -0.653 . . . . 70.24 110.064 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.668 ' H ' HG22 ' A' ' 8' ' ' THR . 72.0 t80 -55.49 -42.54 74.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.676 0.39 . . . . 75.21 111.613 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.701 ' OE1' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -72.26 -31.75 66.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 71.02 111.99 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 64.54 110.902 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.48 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 71.14 110.392 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.55 86.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.564 -0.744 . . . . 44.34 111.288 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.341 . . . . 64.41 111.74 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.32 -56.57 15.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.075 -0.512 . . . . 51.54 111.395 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' HE1' ' HA ' ' A' ' 82' ' ' ILE . 66.2 p-90 -79.55 -32.05 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.729 -0.389 . . . . 75.24 110.854 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -61.52 -35.47 77.8 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.662 0.616 . . . . 71.13 112.662 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.28 -17.2 62.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.05 0.389 . . . . 70.43 112.05 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.5 m -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.281 0.562 . . . . 74.31 110.122 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -113.68 76.41 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.263 -1.014 . . . . 71.04 108.263 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 2.0 tmtp? -98.84 140.19 33.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.54 -0.754 . . . . 72.14 110.844 -170.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.522 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 27.0 ttm180 -98.34 160.38 14.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.847 -0.427 . . . . 65.44 109.847 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -43.31 -73.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.058 1.133 . . . . 70.33 114.058 -167.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.2 p -99.71 115.3 29.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 71.42 112.033 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -69.45 -26.65 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 74.1 111.276 177.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.53 -36.16 83.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.439 . . . . 72.02 110.847 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -74.21 -28.28 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 72.24 110.14 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 24' ' ' SER . 16.3 mmp_? -66.79 -31.39 71.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.089 -0.505 . . . . 71.22 109.668 174.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -62.06 -33.97 75.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.052 -0.522 . . . . 53.22 110.829 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -69.36 -37.23 77.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.957 -0.757 . . . . 72.31 108.957 176.467 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 t -69.89 -21.87 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 73.42 110.321 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.91 -39.24 88.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.237 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -71.38 -40.56 70.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 74.21 110.734 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.58 -43.92 80.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.135 -0.484 . . . . 74.25 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 39' ' ' ILE . 51.8 tp -63.77 -50.62 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 64.51 110.468 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -51.73 -49.47 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 75.42 111.961 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.67 -17.73 64.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.47 0.545 . . . . 73.21 112.47 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -111.07 -23.86 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.075 0.768 . . . . 75.21 113.075 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.524 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 11.2 tp -92.92 -19.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.628 -0.429 . . . . 75.3 110.089 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.826 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 40.8 m-85 -124.11 53.98 7.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 111.899 0.333 . . . . 74.33 111.899 176.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 56.3 Cg_endo -98.85 -59.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.834 1.689 . . . . 63.55 112.983 176.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -106.19 -41.36 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.23 0.538 . . . . 73.42 110.312 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.472 HG21 ' HB2' ' A' ' 56' ' ' LEU . 36.9 pt -91.86 -10.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.518 -0.765 . . . . 73.52 111.444 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.826 ' HA3' ' HA ' ' A' ' 40' ' ' PHE . . . -87.0 21.52 19.53 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.705 -0.76 . . . . 71.12 113.071 -174.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 p -89.05 0.12 56.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.268 0.556 . . . . 75.11 110.507 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 m -114.12 172.91 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 71.53 110.612 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.1 158.62 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.402 -0.592 . . . . 63.12 109.402 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.89 -25.38 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 120.947 0.403 . . . . 74.01 110.837 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 41.6 ttp-105 -72.69 -20.84 61.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.323 -0.398 . . . . 63.32 110.908 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -133.78 72.08 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.279 0.561 . . . . 71.22 110.015 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -97.42 149.96 21.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.659 -0.7 . . . . 70.33 110.346 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 3.5 mptp? -94.63 170.57 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.584 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.893 ' HA ' ' HB2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -79.38 -163.11 0.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 62.11 111.034 -178.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.63 ' H ' HG22 ' A' ' 53' ' ' THR . 16.3 m -62.01 3.49 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.815 0.672 . . . . 65.42 112.815 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -59.34 -31.65 69.38 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.466 -0.568 . . . . 72.13 109.466 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 pp -75.25 -14.91 60.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.433 -0.803 . . . . 73.04 111.31 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.78 -24.48 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 74.43 110.933 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -64.11 -52.95 51.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.546 -0.297 . . . . 73.32 111.271 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.0 Cg_exo -53.81 -35.29 78.64 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.268 1.979 . . . . 74.31 112.969 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.467 HG22 ' HB1' ' A' ' 72' ' ' ALA . 50.8 mm -69.27 -32.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 73.04 109.64 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 18.0 tptp -70.79 -25.27 62.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.481 -0.781 . . . . 72.5 109.543 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 59' ' ' PRO . 34.4 tt0 -62.13 -37.61 85.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.125 -0.943 . . . . 72.54 109.743 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.95 -36.83 65.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.161 0.505 . . . . 75.25 109.773 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.55 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 2.3 t70 -53.84 -51.09 64.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 74.23 109.68 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -60.56 -29.72 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.298 -0.865 . . . . 70.21 111.571 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -69.89 -16.87 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.378 . . . . 72.4 110.984 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.5 -15.98 10.58 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.983 -0.627 . . . . 74.42 112.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.926 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.1 mmpt? -94.81 46.52 1.13 Allowed 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.679 0.752 . . . . 54.35 111.571 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.549 -1.205 . . . . 72.05 110.919 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -74.33 -44.05 54.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 75.43 109.976 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 60.9 t -72.34 -37.86 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 63.53 110.571 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB1' HG22 ' A' ' 60' ' ' ILE . . . -53.29 -51.42 62.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 65.53 111.388 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.607 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 tt0 -61.87 -45.9 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.412 0.625 . . . . 64.2 111.216 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 8.4 tpt180 -56.37 -32.49 64.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.987 -1.006 . . . . 75.2 111.107 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 97.1 mt -74.15 -49.81 22.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.354 -0.385 . . . . 52.15 111.387 176.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.607 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.6 pt20 -65.62 -41.0 93.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.74 0.305 . . . . 74.33 111.801 -175.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.34 -19.97 65.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 61.11 110.558 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 82' ' ' ILE . 20.9 ttm180 -80.81 -49.67 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.904 -0.589 . . . . 64.44 110.707 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.82 -32.45 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.403 . . . . 63.43 111.098 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 19.0 p -65.34 -32.41 74.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.799 0.333 . . . . 71.51 110.887 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.4 -38.07 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.526 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.552 ' HA ' ' HE1' ' A' ' 16' ' ' TRP . 83.3 mt -60.76 -51.54 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 74.24 110.58 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 ttt -70.97 -25.1 62.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 62.41 110.492 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' THR . 15.0 tpp85 -59.74 -46.08 90.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 74.4 110.364 178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -68.71 -30.07 68.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.355 0.598 . . . . 72.31 109.769 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.024 ' HB1' ' HE1' ' A' ' 91' ' ' TYR . . . -65.76 -22.92 66.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 74.02 111.335 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 46.8 t -72.54 -23.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.468 . . . . 64.41 110.294 176.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.5 tp60 -67.95 -36.57 80.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 61.23 111.265 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.17 -7.9 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 75.2 110.492 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 57.02 64.94 1.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.551 -0.75 . . . . 73.44 112.768 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 1.024 ' HE1' ' HB1' ' A' ' 86' ' ' ALA . 7.5 p90 -111.06 0.34 16.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.398 0.618 . . . . 73.32 109.661 169.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.6 pt -130.42 143.61 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.433 -0.803 . . . . 72.13 110.614 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.51 25.35 8.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.952 0.406 . . . . 72.54 110.833 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.4 m -132.46 -60.82 0.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 74.15 110.904 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 55.2 78.48 0.38 Allowed Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 115.887 -0.597 . . . . 72.44 111.171 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.893 ' HB2' ' HA ' ' A' ' 53' ' ' THR . 72.5 Cg_endo -76.17 -17.26 17.2 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.706 2.271 . . . . 53.13 112.483 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 80' ' ' THR . . . -82.46 79.49 8.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.311 0.577 . . . . 53.53 110.806 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 m -140.21 -64.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.961 -0.563 . . . . 74.05 111.314 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 46.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.767 0.317 . . . . 73.14 111.233 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mtp -90.47 -41.13 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 72.33 110.966 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.263 -0.426 . . . . 20.42 110.511 176.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.9 p90 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.908 -0.404 . . . . 74.22 109.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 11' ' ' THR . 24.3 m -58.35 142.23 48.79 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.4 -0.818 . . . . 71.13 111.529 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.69 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 36.7 t80 -48.34 -37.52 16.84 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.7 -0.682 . . . . 73.32 112.234 -177.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.841 0.682 . . . . 54.43 112.841 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 8' ' ' THR . 13.4 t -70.63 -30.66 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.818 -0.353 . . . . 63.1 111.113 -173.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.76 -44.21 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.689 -0.486 . . . . 72.51 109.689 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.2 -35.75 81.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.837 -0.619 . . . . 65.04 111.022 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.66 -45.06 93.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 53.42 110.959 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.36 -54.36 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.547 -0.751 . . . . 74.34 112.372 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.615 ' HE1' HG12 ' A' ' 82' ' ' ILE . 69.5 p-90 -79.47 -38.15 35.22 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.646 -0.422 . . . . 75.52 111.637 -176.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -65.2 -24.9 67.49 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.975 0.361 . . . . 71.44 111.975 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -53.82 -14.71 1.03 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.852 0.686 . . . . 70.03 112.852 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -38.75 88.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 54.24 110.477 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -131.71 84.67 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.121 0.962 . . . . 65.52 110.47 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.59 159.16 20.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 61.34 110.471 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HD2' ' O ' ' A' ' 23' ' ' TRP . 7.7 tmm_? -115.41 138.94 50.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.894 -0.78 . . . . 73.51 108.894 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.487 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 5.6 m-90 -76.0 176.61 7.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 73.55 111.749 -172.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 46.6 m 65.56 46.4 2.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.638 -0.71 . . . . 72.31 110.04 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.93 -21.5 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.366 -0.834 . . . . 71.42 111.632 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.65 -30.65 14.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.507 0.67 . . . . 75.02 110.407 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 32.8 m-70 -65.77 -21.61 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.995 -1.002 . . . . 73.34 112.089 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -44.48 -34.77 2.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.561 0.744 . . . . 63.32 111.607 -176.268 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -54.5 -46.46 73.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.951 0.405 . . . . 71.34 110.966 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 5.3 mpt_? -81.7 -34.75 30.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 74.51 110.565 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 28' ' ' ARG . 61.5 t -62.38 -33.45 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.059 -0.519 . . . . 52.42 110.615 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 64.7 tp -56.65 -41.15 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.654 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.81 -35.4 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 63.34 110.781 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.58 -34.54 67.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.093 0.473 . . . . 73.04 110.105 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.623 HD12 HD12 ' A' ' 39' ' ' ILE . 46.9 tp -60.53 -52.71 64.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.6 -0.727 . . . . 75.51 110.863 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.7 pt-20 -70.07 -28.88 65.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 64.3 112.134 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.7 mt -84.09 -34.04 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.098 0.407 . . . . 72.31 112.098 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -101.82 -45.92 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.103 0.408 . . . . 72.51 112.103 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.623 HD12 HD12 ' A' ' 35' ' ' LEU . 57.2 mt -94.57 -33.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 75.11 111.545 -173.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.475 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 89.1 m-85 -122.0 54.26 5.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 121.118 -0.233 . . . . 73.34 111.309 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.21 -56.27 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.953 1.769 . . . . 61.52 112.978 -170.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -105.0 -2.65 24.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 64.33 111.132 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 56' ' ' LEU . 37.3 pt -119.6 12.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.284 -0.416 . . . . 63.43 111.672 -173.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -67.14 -14.17 63.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.048 -0.596 . . . . 74.23 112.858 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p -89.38 -0.79 57.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.847 0.356 . . . . 74.12 111.098 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -108.57 105.59 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 74.02 111.044 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.93 164.94 20.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 42.42 110.232 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.69 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 16.5 tt -73.28 -10.7 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.403 -0.362 . . . . 64.2 111.685 -173.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -51.27 -44.34 61.78 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.412 -0.588 . . . . 74.2 109.412 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.12 82.66 1.96 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.67 -0.863 . . . . 72.51 108.67 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -85.86 128.1 34.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.501 -0.772 . . . . 73.05 108.996 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -90.0 169.52 11.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.074 -0.512 . . . . 73.21 111.683 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -73.81 -162.31 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.553 -0.749 . . . . 74.25 111.912 -178.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 13.8 m -64.22 16.73 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.697 0.999 . . . . 73.11 113.697 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' THR . 35.3 m-70 -73.07 -31.11 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.23 -0.656 . . . . 73.13 109.23 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.819 ' HB2' HG21 ' A' ' 43' ' ' ILE . 4.6 pp -77.11 -14.64 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.456 -0.793 . . . . 75.13 110.518 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.619 HD12 HE22 ' A' ' 76' ' ' GLN . 2.0 tt -66.91 -28.97 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 64.32 111.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.741 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.43 -56.52 21.71 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.318 0.488 . . . . 75.24 112.318 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.741 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -60.94 -27.18 84.39 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.066 1.844 . . . . 54.02 113.2 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 63' ' ' VAL . 43.6 mm -71.49 -24.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.449 0.643 . . . . 52.41 110.114 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 9.4 tmtt? -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.573 -0.74 . . . . 64.0 110.352 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -69.17 -46.74 66.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.437 -0.347 . . . . 64.21 110.969 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 60' ' ' ILE . 11.4 p -70.16 -28.27 35.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 65.34 110.051 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 3.3 t70 -58.16 -57.61 12.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.658 -0.701 . . . . 74.2 110.703 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -72.79 -19.25 61.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 62.55 111.015 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -66.94 -15.71 63.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.875 -0.602 . . . . 74.51 111.143 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.53 -16.6 5.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.565 -0.826 . . . . 50.22 113.004 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.8 mmpt? -97.81 30.69 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.241 0.543 . . . . 75.23 110.194 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.6 p80 -48.41 -48.04 37.34 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.637 -1.165 . . . . 71.33 112.749 -176.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -72.56 -35.46 67.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 73.44 110.853 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.466 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 40.9 t -68.51 -41.97 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.124 -0.489 . . . . 64.13 110.331 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.09 91.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.618 . . . . 73.34 110.958 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.7 mm-40 -59.62 -45.03 93.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.232 -0.44 . . . . 63.03 111.093 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -58.23 -32.9 68.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.724 -0.671 . . . . 71.54 111.367 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 79' ' ' VAL . 95.3 mt -65.9 -43.5 88.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.63 -0.259 . . . . 75.13 110.448 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.619 HE22 HD12 ' A' ' 57' ' ' LEU . 2.7 mt-30 -61.8 -46.56 89.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.576 0.703 . . . . 75.41 109.697 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -20.39 65.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.283 -1.326 . . . . 74.01 111.589 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 82' ' ' ILE . 98.6 mtt180 -83.09 -41.55 18.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.601 -0.272 . . . . 74.44 110.3 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 75' ' ' LEU . 94.7 t -60.79 -41.31 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 72.12 110.754 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 31.4 p -60.27 -40.01 88.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 74.43 110.628 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.32 92.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.668 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.615 HG12 ' HE1' ' A' ' 16' ' ' TRP . 76.5 mt -59.79 -40.99 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.964 -0.562 . . . . 63.41 110.294 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 mmm -66.28 -34.66 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 73.33 111.283 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 80' ' ' THR . 9.3 mmm180 -65.69 -34.16 77.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.381 . . . . 70.24 110.061 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 5.9 t80 -73.59 -30.52 63.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 63.54 109.716 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.7 85.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 72.31 110.246 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 83' ' ' MET . 94.6 t -69.02 -27.02 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 33.2 110.574 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 85' ' ' TYR . 32.2 tt0 -57.35 -42.22 81.6 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.336 175.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.7 -15.82 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 54.23 109.983 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t70 44.03 76.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.718 1.207 . . . . 54.42 113.345 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -111.21 7.83 21.36 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.479 0.657 . . . . 73.41 109.688 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 pt -120.09 -39.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.386 -0.825 . . . . 75.45 111.897 -175.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 61.25 24.1 14.25 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.015 0.912 . . . . 73.4 110.868 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.4 m -147.49 137.97 23.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.872 -0.604 . . . . 60.12 110.082 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -112.74 86.37 8.63 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 116.361 -0.381 . . . . 74.31 111.243 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.45 0.94 9.62 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.189 . . . . 50.52 111.796 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.807 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . -104.0 6.31 36.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.686 -0.688 . . . . 34.22 111.106 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -68.37 -47.56 67.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.116 -0.493 . . . . 53.53 110.194 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -124.31 30.35 6.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 72.13 109.438 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.807 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.6 tmt? -58.09 -53.89 53.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.308 -0.86 . . . . 54.2 109.855 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.694 -0.684 . . . . 72.24 109.316 174.666 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.174 0.511 . . . . 75.11 111.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -116.52 -168.86 1.52 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 53.42 109.753 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.504 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 53.5 t80 -69.58 -28.15 65.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.463 -0.569 . . . . 71.41 109.463 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.35 -45.3 73.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.725 -0.67 . . . . 64.21 110.416 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.72 -48.29 66.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 72.42 112.745 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.703 HD12 HD13 ' A' ' 48' ' ' ILE . 56.4 mt -69.71 -41.87 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 74.32 111.383 -175.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 60.41 110.414 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 50.3 ttt180 -69.13 -36.61 77.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.232 -0.894 . . . . 63.42 111.08 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -58.87 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.97 0.794 . . . . 73.01 111.693 -173.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -74.42 -24.88 59.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.464 -0.335 . . . . 73.02 111.2 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.93 -29.97 69.99 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.299 -0.251 . . . . 73.52 111.238 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 98.4 mt-10 -68.58 -18.22 64.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.761 0.315 . . . . 64.32 111.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 m -75.87 -15.38 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 62.22 110.375 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 8.0 t30 -95.44 -2.27 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.539 . . . . 72.11 109.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 71.7 mmtt 75.13 156.79 0.18 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.334 -0.848 . . . . 51.51 112.806 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 67.95 114.88 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 113.986 -1.461 . . . . 63.43 112.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 p90 -139.69 -55.19 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.297 -1.319 . . . . 74.32 109.589 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 39.7 t 58.76 115.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.245 0.966 . . . . 63.1 112.552 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.93 -29.63 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 73.43 110.769 175.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.16 -48.82 32.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.398 0.618 . . . . 75.51 110.291 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -70.5 -24.63 62.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.753 . . . . 74.15 109.918 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HG3' HD13 ' A' ' 32' ' ' LEU . 18.4 tpt180 -46.51 -43.94 17.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.745 0.818 . . . . 65.55 112.83 -175.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 m -55.59 -32.63 63.23 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.189 0.519 . . . . 54.04 111.357 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 7.1 mpt_? -81.24 -37.79 28.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 64.22 109.945 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -65.24 -38.5 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 74.42 110.697 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD13 ' HG3' ' A' ' 28' ' ' ARG . 6.4 mp -62.95 -37.94 89.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 72.4 111.45 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -30.37 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.433 0.635 . . . . 71.23 109.475 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -69.73 -47.61 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.253 -0.885 . . . . 71.31 111.226 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 40' ' ' PHE . 3.2 pp -68.65 -20.94 64.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.271 0.471 . . . . 72.41 112.271 -175.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 50.8 mt-10 -70.35 -32.11 69.67 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.716 0.293 . . . . 62.42 111.272 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -103.31 -33.91 8.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.099 0.407 . . . . 70.02 112.099 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -96.26 -33.18 12.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.843 0.312 . . . . 72.1 111.843 -172.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG12 ' HA ' ' A' ' 35' ' ' LEU . 34.4 mm -97.22 -61.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.64 -0.424 . . . . 74.33 111.215 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 4.0 p90 -131.35 84.36 56.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.158 0.504 . . . . 74.23 111.425 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 12.6 Cg_exo -70.61 -56.28 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.789 2.326 . . . . 73.44 113.05 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -103.51 -9.79 19.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.87 -0.332 . . . . 72.22 111.564 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' HB2' ' A' ' 40' ' ' PHE . 28.8 pt -104.33 3.72 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.975 0.416 . . . . 71.42 110.857 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA3' ' HD1' ' A' ' 40' ' ' PHE . . . -87.35 4.31 86.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.935 -0.65 . . . . 54.02 111.758 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -96.33 12.77 29.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 74.21 110.533 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -126.26 148.69 49.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 71.42 110.073 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -82.22 153.1 26.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.126 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.703 HD13 HD12 ' A' ' 12' ' ' ILE . 18.9 tt -71.24 -13.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.548 . . . . 71.34 111.007 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.72 -24.39 67.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 74.41 110.278 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -127.35 78.55 1.82 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.605 0.717 . . . . 74.32 109.361 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -88.59 161.35 16.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.048 -0.978 . . . . 65.3 109.348 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' H ' HD13 ' A' ' 51' ' ' LEU . 74.3 mmtt -122.58 161.81 23.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.008 0.433 . . . . 74.25 111.081 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.444 ' HB ' ' H ' ' A' ' 54' ' ' SER . 2.3 p -75.71 -162.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.411 -0.813 . . . . 75.14 111.186 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.444 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.9 m -52.03 -12.27 0.21 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.678 0.992 . . . . 71.12 113.678 -174.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HD2' ' OG1' ' A' ' 53' ' ' THR . 82.6 m-70 -58.24 -36.93 73.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.768 0.318 . . . . 71.22 110.315 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -74.3 -15.53 60.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.934 0.397 . . . . 74.2 111.131 -177.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.37 -20.16 55.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 51.33 110.935 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.73 -53.73 61.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 111.886 0.328 . . . . 64.41 111.886 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 54.9 Cg_exo -55.51 -44.85 44.36 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.159 1.906 . . . . 60.13 112.892 176.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.9 mm -67.96 -30.35 47.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.273 0.559 . . . . 74.41 110.56 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 61' ' ' LYS . 15.8 tptp -69.65 -25.77 64.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.753 . . . . 55.01 110.05 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.52 -49.65 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 70.14 110.056 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.35 -40.78 89.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.134 0.492 . . . . 74.43 109.968 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 68' ' ' LYS . 1.1 t70 -55.65 -58.32 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.086 -0.961 . . . . 71.52 111.48 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 m -78.41 -19.84 52.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.07 -0.514 . . . . 54.23 111.755 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -71.19 -32.2 68.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 61.2 110.392 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.09 -48.63 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.166 -1.016 . . . . 53.13 113.315 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.643 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -90.66 80.82 5.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.666 0.746 . . . . 73.42 111.61 -175.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -73.06 -53.48 10.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.452 -1.249 . . . . 71.04 111.469 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -61.35 -48.1 82.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.147 -0.933 . . . . 71.13 111.909 -168.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 68' ' ' LYS . 26.8 m -63.62 -36.7 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 73.35 111.42 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . . . -67.15 -43.94 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 42.41 110.677 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -62.49 -45.04 94.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.557 . . . . 64.5 110.797 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -62.55 -32.31 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.78 -0.646 . . . . 73.11 111.592 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 71' ' ' VAL . 5.4 mp -73.3 -49.37 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 64.51 111.396 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.509 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.8 pt20 -61.25 -43.31 99.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 71.52 111.276 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.14 -29.62 68.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.898 0.38 . . . . 75.21 111.042 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -69.28 -22.36 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.05 111.011 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.17 -35.06 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 62.4 110.943 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.3 p -60.98 -41.55 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 51.05 110.745 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -40.66 83.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.266 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.32 -45.63 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 54.53 110.514 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.532 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 10.7 mmt -58.81 -38.55 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 63.41 110.676 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -61.0 -45.67 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.35 110.937 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.17 -30.86 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.342 . . . . 73.14 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.02 72.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.855 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG21 ' ND2' ' A' ' 95' ' ' ASN . 99.8 t -79.04 -37.68 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 72.31 110.334 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 71.34 109.614 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.18 -7.22 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 63.1 110.373 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.04 65.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.005 -0.998 . . . . 51.25 111.978 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -109.56 -10.2 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 75.22 110.518 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.0 pt -122.45 169.53 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 42.33 109.975 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -103.67 -48.75 3.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.037 0.446 . . . . 74.12 111.174 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.536 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 10.0 m -98.53 166.06 11.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 73.42 111.212 -173.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.484 ' ND2' HG21 ' A' ' 87' ' ' VAL . 15.5 m120 -110.25 86.14 4.98 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.553 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 94' ' ' SER . 18.0 Cg_endo -94.38 -169.42 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.315 2.677 . . . . 73.52 112.455 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 83' ' ' MET . . . 58.49 82.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.433 -0.803 . . . . 62.24 112.211 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -138.4 -47.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.459 . . . . 61.21 109.952 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.43 32.5 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.813 0.816 . . . . 72.34 110.388 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -120.56 9.59 10.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 74.13 109.671 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.375 0 CA-C-N 115.059 -0.973 . . . . 44.54 109.585 178.58 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 p90 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 109.461 -0.57 . . . . 75.04 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.764 ' H ' ' HB ' ' A' ' 11' ' ' THR . 77.8 p -129.41 -164.57 1.42 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.342 -0.845 . . . . 54.11 109.385 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.746 ' HA ' HD12 ' A' ' 48' ' ' ILE . 47.5 t80 -63.67 -49.51 72.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 73.14 110.747 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -75.88 -35.76 59.74 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 116.414 -0.357 . . . . 62.4 110.367 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.764 ' HB ' ' H ' ' A' ' 8' ' ' THR . 56.1 m -62.14 -35.42 78.7 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.836 0.68 . . . . 64.44 112.836 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.717 HD12 HD13 ' A' ' 48' ' ' ILE . 58.2 mt -72.37 -37.24 57.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 121.924 -0.485 . . . . 72.44 110.446 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.58 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.081 0.467 . . . . 64.51 110.0 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.796 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 4.7 tpp180 -52.31 -31.49 33.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.302 1.041 . . . . 55.41 112.152 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.71 -57.19 11.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.368 -0.833 . . . . 75.53 109.966 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.652 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 53.8 p-90 -81.48 -30.14 33.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.078 0.466 . . . . 73.54 111.091 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.796 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 17.1 t-160 -62.54 -27.9 69.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.905 0.705 . . . . 74.44 112.905 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.642 ' OE1' ' HD2' ' A' ' 14' ' ' ARG . 12.2 tp10 -65.49 -3.51 4.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.955 0.407 . . . . 51.14 111.681 -176.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -66.29 -28.54 68.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.482 -0.326 . . . . 44.22 111.532 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 69.59 156.92 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.913 0.485 . . . . 70.31 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -89.26 -40.94 12.48 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.158 0.429 . . . . 73.31 112.158 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -159.95 165.67 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.573 -0.529 . . . . 73.03 109.573 -174.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.46 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 11.4 m-90 -62.18 90.73 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.471 0.653 . . . . 70.11 111.507 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.6 m -163.27 38.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.953 -1.128 . . . . 65.3 107.953 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -49.9 -53.2 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.881 -1.054 . . . . 62.23 111.891 -169.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.17 -46.39 75.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.847 -0.615 . . . . 71.12 111.447 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -75.73 -42.66 49.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.843 -0.617 . . . . 72.24 111.589 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.19 -24.61 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.545 0.202 . . . . 53.24 111.545 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -70.58 -41.97 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 72.21 110.563 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -82.27 -33.99 28.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.589 -0.278 . . . . 51.01 110.874 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 69.6 t -65.51 -38.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.615 -0.266 . . . . 65.04 111.01 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.73 -24.19 8.23 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.615 0.572 . . . . 74.32 111.927 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 33' ' ' ARG . 35.9 ttt180 -50.75 -31.05 15.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 64.15 111.7 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 31' ' ' VAL . 3.2 p90 -54.75 -25.86 30.52 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.898 -0.592 . . . . 75.52 111.614 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD12 HG13 ' A' ' 39' ' ' ILE . 41.7 tp -56.25 -42.82 77.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.779 0.323 . . . . 71.31 111.319 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.78 -32.66 74.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 74.42 111.68 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -103.47 -41.07 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.359 0.504 . . . . 60.21 112.359 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -76.97 -37.0 56.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.37 -0.377 . . . . 73.43 111.097 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.514 HD11 ' HG ' ' A' ' 75' ' ' LEU . 48.0 mm -99.2 -29.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 74.02 111.269 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.417 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 64.0 m-85 -120.36 61.22 8.11 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.841 -0.344 . . . . 75.12 111.434 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.4 -56.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.342 1.361 . . . . 72.05 112.396 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -105.97 -21.04 13.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.273 0.558 . . . . 63.35 110.41 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.3 pt -94.09 16.22 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.619 -0.719 . . . . 74.33 112.161 -171.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -62.5 -9.21 23.56 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.248 -0.501 . . . . 75.32 113.403 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -87.19 7.49 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.786 0.327 . . . . 64.13 111.01 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -73.84 143.26 45.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.499 . . . . 62.53 111.778 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -99.65 134.66 42.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.211 -0.904 . . . . 73.51 109.189 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 9' ' ' PHE . 12.8 tt -75.72 -21.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.703 0.764 . . . . 75.42 109.806 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.718 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 7.0 ttp85 -78.33 -20.55 51.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.398 -0.819 . . . . 70.34 109.639 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -138.05 80.12 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.96 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 52' ' ' LYS . 1.4 tm? -82.31 138.34 34.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.449 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HD3' ' NE2' ' A' ' 55' ' ' HIS . 89.7 mttt -104.08 171.83 7.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.34 0.591 . . . . 74.03 112.572 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -73.0 -172.69 1.09 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.597 -0.729 . . . . 63.42 111.348 -177.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.693 ' H ' HG22 ' A' ' 53' ' ' THR . 4.5 p -71.99 16.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.89 1.07 . . . . 74.05 113.89 -169.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 52' ' ' LYS . 34.4 p80 -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.041 -0.664 . . . . 71.01 109.591 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' ' 43' ' ' ILE . 4.6 pp -76.9 -15.18 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.584 -0.735 . . . . 62.14 110.837 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.49 -13.49 59.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 75.35 111.226 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 59' ' ' PRO . . . -48.54 -54.41 26.72 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.047 0.758 . . . . 52.05 113.047 -177.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -61.27 -29.01 85.5 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.905 1.737 . . . . 64.14 113.426 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 59' ' ' PRO . 3.4 mp -72.29 -25.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.317 0.579 . . . . 74.41 109.454 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.743 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 1.3 mmmp? -69.98 -25.64 63.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.625 0.726 . . . . 73.23 110.297 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.41 -49.03 79.37 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.55 -1.205 . . . . 63.41 110.56 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 68' ' ' LYS . 10.1 p -77.93 -28.51 15.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.215 0.531 . . . . 71.22 110.236 177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.743 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -55.97 -52.28 64.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 43.51 110.859 175.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.6 m -73.34 -14.57 61.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 64.01 111.305 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.9 m -71.04 -18.44 62.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.436 -0.347 . . . . 61.42 110.979 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.28 -1.88 14.31 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.577 -0.821 . . . . 53.24 113.039 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.789 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.8 mmpt? -105.14 24.23 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.327 0.584 . . . . 75.11 110.442 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -59.34 -25.45 64.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.093 -0.958 . . . . 74.14 112.92 -175.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.8 t70 -61.65 -54.03 48.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.793 0.27 . . . . 61.24 111.213 -176.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.9 m -69.13 -34.48 63.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 54.42 110.899 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.93 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.073 0.463 . . . . 74.5 110.271 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 16.9 tt0 -62.53 -45.05 94.72 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.668 -0.696 . . . . 72.22 110.659 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 24.5 mmt180 -49.24 -42.4 40.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.183 -0.917 . . . . 71.42 111.031 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 39' ' ' ILE . 4.3 mm? -73.57 -48.14 35.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 74.01 111.97 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -66.15 -35.24 79.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.192 0.52 . . . . 65.42 111.293 -176.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -65.16 -34.78 79.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.681 -0.69 . . . . 64.14 109.945 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.539 ' O ' HG13 ' A' ' 82' ' ' ILE . 8.2 tpp180 -75.55 -30.82 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.051 -0.522 . . . . 52.32 110.471 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 75' ' ' LEU . 84.0 t -58.83 -42.56 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 121.315 0.579 . . . . 51.22 109.522 172.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.4 m -65.7 -34.25 77.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.343 -0.844 . . . . 65.1 110.462 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . . . -67.63 -34.32 76.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.733 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.652 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 77.3 mt -61.5 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 72.43 109.958 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.595 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.7 mmt -56.64 -34.65 67.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 72.44 111.07 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -57.43 -45.1 85.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 74.51 111.047 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -77.32 -28.78 53.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 74.33 110.905 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.29 90.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.116 0.484 . . . . 72.43 110.413 173.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 83' ' ' MET . 97.7 t -60.62 -28.58 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.922 -0.581 . . . . 74.23 110.874 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -60.01 -32.02 70.48 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.006 0.431 . . . . 72.24 110.756 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.648 ' HB3' ' HD1' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -88.71 -6.37 57.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.07 -0.513 . . . . 75.33 110.806 -177.754 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 63.97 10.89 5.65 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.522 -0.763 . . . . 63.53 112.999 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.718 ' HE2' ' HA ' ' A' ' 49' ' ' ARG . 43.2 p90 -78.34 -26.81 46.92 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.129 -0.628 . . . . 65.44 111.617 -173.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 91' ' ' TYR . 11.3 pt -89.81 -28.51 5.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 120.987 -0.285 . . . . 74.22 111.431 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 70.27 -60.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.908 0.755 . . . . 52.12 112.068 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 t -83.64 175.03 10.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.752 0.311 . . . . 72.42 110.399 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -115.59 87.52 17.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 53.22 110.397 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -79.45 -175.85 2.95 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.554 2.169 . . . . 71.13 111.89 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.7 18.84 7.56 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.529 -0.759 . . . . 65.31 111.622 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 p -67.71 -26.85 66.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.103 -0.499 . . . . 42.11 111.763 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.29 -12.01 57.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 73.23 111.217 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.0 mmt -57.16 -51.23 70.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.173 0.511 . . . . 70.31 110.954 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.955 -0.566 . . . . 62.03 110.808 -179.283 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.515 ' HE2' ' HG3' ' A' ' 49' ' ' ARG . 9.6 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 122.305 1.05 . . . . 70.42 109.99 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -91.95 165.34 13.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.375 -0.83 . . . . 73.34 109.997 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 13.2 p90 -66.8 -24.58 66.2 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.533 -0.543 . . . . 73.52 109.533 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.69 -44.37 66.21 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.566 -0.743 . . . . 74.45 110.862 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.31 -41.71 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 75.32 110.543 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.4 HG13 HD12 ' A' ' 48' ' ' ILE . 51.7 mm -68.42 -38.22 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 71.4 110.431 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.26 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 70.5 111.374 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -65.14 -28.95 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.487 -0.324 . . . . 73.23 110.927 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -59.66 4.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.547 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HE1' HD13 ' A' ' 82' ' ' ILE . 39.4 p-90 -80.1 -29.33 39.01 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.871 -0.332 . . . . 72.24 111.616 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.44 -28.64 68.05 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.362 0.504 . . . . 65.01 112.362 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG2' ' HD3' ' A' ' 28' ' ' ARG . 19.2 tt0 -72.29 -7.41 49.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.698 0.285 . . . . 62.12 111.725 -173.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 64.01 110.501 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.46 -176.95 0.21 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.77 -0.65 . . . . 75.34 111.715 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -106.27 -46.01 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.402 -0.962 . . . . 65.43 108.402 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 88.78 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.162 -1.421 . . . . 73.44 107.162 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -52.36 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.133 0.896 . . . . 70.23 112.672 -169.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.445 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 15.0 m -156.1 137.23 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 62.32 109.284 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.2 pm0 -69.27 -26.79 64.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.343 -0.39 . . . . 62.24 111.722 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.89 -30.78 67.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.969 0.414 . . . . 70.12 110.309 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 38.4 m170 -71.7 -28.34 63.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 71.32 110.723 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 83.6 mtt180 -56.53 -45.71 81.0 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 123.418 0.449 . . . . 73.32 110.702 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -62.92 -33.64 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 71.03 111.036 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -76.93 -48.9 16.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.526 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.02 -16.46 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 74.45 111.454 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 1.3 tm? -66.3 -47.12 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.389 -0.597 . . . . 75.3 109.389 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -29.87 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.075 -0.511 . . . . 73.52 109.945 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -64.57 -37.79 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 74.14 109.873 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.543 HD12 ' HB ' ' A' ' 39' ' ' ILE . 49.0 tp -58.63 -46.34 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.365 -0.834 . . . . 71.22 110.524 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.35 -34.38 68.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 73.44 112.197 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -95.35 -41.39 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.536 0.569 . . . . 73.52 112.536 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -96.09 -11.81 25.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.811 0.339 . . . . 75.51 111.593 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 35' ' ' LEU . 46.6 mt -135.25 122.56 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-O 121.512 0.672 . . . . 73.21 111.105 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.507 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.1 m-85 71.42 54.12 0.38 Allowed Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 114.382 -1.281 . . . . 75.23 112.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 14.9 Cg_exo -68.44 -51.68 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 121.922 1.748 . . . . 74.12 112.459 -176.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -103.12 -2.02 28.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 63.22 111.926 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 56' ' ' LEU . 33.0 pt -127.8 11.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.763 0.653 . . . . 54.01 112.763 -170.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -97.14 10.16 65.55 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.078 -1.058 . . . . 44.14 113.519 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 p -107.72 4.36 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.081 0.4 . . . . 73.13 112.081 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -99.24 148.47 24.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 71.23 112.188 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.8 163.73 21.14 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.512 -0.767 . . . . 64.4 110.252 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' A' ' 86' ' ' ALA . 18.7 tt -75.51 -28.31 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 111.95 0.352 . . . . 61.11 111.95 -175.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG3' ' HE2' ' A' ' 7' ' ' TYR . 46.2 mtt180 -72.52 -21.33 61.2 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.01 -0.276 . . . . 65.44 111.338 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -114.11 72.26 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.877 0.846 . . . . 60.01 109.481 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB3' ' HG2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -90.88 137.71 32.15 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.725 -1.125 . . . . 74.1 109.194 -179.451 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.901 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.6 mmtp -85.37 164.94 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 70.4 110.563 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -90.9 -161.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.021 -0.536 . . . . 74.43 109.614 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.642 ' H ' HG22 ' A' ' 53' ' ' THR . 16.1 m -59.29 -0.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.129 0.789 . . . . 71.34 113.129 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HD2' ' HB ' ' A' ' 53' ' ' THR . 42.0 m-70 -58.32 -34.86 71.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.033 0.444 . . . . 71.54 110.195 174.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.0 pp -77.37 -14.71 59.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 64.43 111.162 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HB ' ' A' ' 60' ' ' ILE . 64.5 tp -78.22 -18.94 54.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 64.04 110.911 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -54.61 -53.05 64.46 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.243 0.46 . . . . 75.23 112.243 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.3 Cg_exo -61.63 -35.32 81.47 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.119 1.88 . . . . 72.32 112.634 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.519 ' HB ' HD12 ' A' ' 57' ' ' LEU . 45.2 mm -71.59 -24.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.471 0.653 . . . . 74.51 109.976 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 5.0 tmtm? -65.71 -26.51 67.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.254 -0.885 . . . . 73.53 109.934 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.84 -28.84 67.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.941 -0.572 . . . . 73.12 110.268 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.9 -39.92 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 73.14 111.031 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 61' ' ' LYS . 2.8 p30 -75.51 -40.17 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.69 -0.404 . . . . 63.23 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.9 m -73.8 -52.86 11.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.815 0.34 . . . . 72.45 111.389 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -91.02 15.6 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.759 -0.201 . . . . 71.01 111.479 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.46 -132.17 1.37 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.319 -0.944 . . . . 64.23 113.036 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.576 ' N ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -88.18 91.81 8.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.665 0.269 . . . . 75.05 110.936 -175.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 64' ' ' ASP . 5.2 p-80 -66.48 -26.64 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 74.31 110.768 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 10.5 t70 -64.39 -52.3 58.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 72.25 110.048 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.4 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.9 t -73.52 -39.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.406 -0.816 . . . . 72.11 111.345 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.35 77.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.629 0.233 . . . . 70.34 111.629 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.327 0.584 . . . . 71.55 110.182 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 48.1 mtt180 -58.0 -44.05 86.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.544 -0.753 . . . . 70.05 110.086 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 83.7 mt -72.33 -30.22 64.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.394 -0.821 . . . . 64.53 112.695 -174.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.33 -36.84 68.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.536 -0.466 . . . . 71.14 111.148 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -56.76 -17.88 10.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.632 -0.713 . . . . 73.42 112.626 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.0 ptt-85 -50.42 -34.21 23.69 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.223 0.453 . . . . 75.43 112.223 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HB ' ' SD ' ' A' ' 100' ' ' MET . 19.4 t -72.11 -33.61 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.414 -0.357 . . . . 74.14 110.676 -176.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.2 m -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.234 0.54 . . . . 73.42 109.936 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.49 ' O ' ' HD1' ' A' ' 85' ' ' TYR . . . -64.86 -45.1 87.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.893 -0.594 . . . . 73.51 109.899 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.429 HD13 ' HE1' ' A' ' 16' ' ' TRP . 35.8 mm -53.11 -44.82 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.969 -0.559 . . . . 74.42 110.254 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.675 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -58.05 -38.57 76.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.121 -0.945 . . . . 54.45 111.194 -177.135 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -70.37 -50.97 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 74.2 111.173 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.49 ' HD1' ' O ' ' A' ' 81' ' ' ALA . 65.1 m-85 -60.18 -30.37 69.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.974 0.416 . . . . 75.54 110.981 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -66.62 -35.29 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 62.41 111.306 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.82 -40.95 21.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.974 0.416 . . . . 74.22 110.089 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.66 -31.48 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 75.44 111.617 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -113.46 10.06 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.668 0.247 . . . . 64.13 111.668 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.27 73.06 0.41 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.594 0.59 . . . . 72.45 112.594 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -110.74 -45.11 3.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.672 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 94' ' ' SER . 25.6 pt -103.56 159.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.387 0.514 . . . . 74.12 112.387 -169.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -112.95 5.53 17.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.81 -0.632 . . . . 71.14 110.518 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.498 ' O ' HD12 ' A' ' 92' ' ' ILE . 33.7 t -154.55 154.29 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 62.24 109.807 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -119.73 85.21 32.81 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.816 0.341 . . . . 75.33 110.899 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.675 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 11.9 Cg_exo -72.17 -44.64 0.8 Allowed 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.835 2.356 . . . . 70.42 113.136 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.32 33.57 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -60.49 -43.28 97.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 51.0 110.213 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -101.71 -69.75 0.77 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.719 -0.673 . . . . 74.33 109.615 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.411 ' SD ' ' HB ' ' A' ' 79' ' ' VAL . 26.9 ttt 72.01 -54.31 0.68 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.932 0.77 . . . . 54.41 112.532 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 O-C-N 123.263 0.352 . . . . 5.21 111.842 -175.7 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 121.202 0.525 . . . . 75.21 110.703 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -71.56 129.29 38.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 64.33 111.054 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.898 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.3 t80 -55.49 -48.42 74.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.988 0.423 . . . . 64.35 110.768 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.58 -32.94 67.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 73.43 111.349 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -70.83 -39.37 73.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 73.54 110.622 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.44 -33.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 73.12 110.144 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.81 69.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 61.21 111.107 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -66.5 -30.55 70.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 71.3 111.003 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -57.57 10.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.628 -0.715 . . . . 73.32 110.934 -174.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 56.4 p-90 -79.2 -35.13 42.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 73.01 111.788 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -69.07 -23.82 64.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.941 0.348 . . . . 71.02 111.941 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -52.7 -25.98 12.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.037 0.535 . . . . 65.23 111.585 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -58.84 -23.03 60.11 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.107 -0.497 . . . . 75.35 111.248 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -120.66 23.11 10.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.879 0.371 . . . . 54.34 111.342 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 47.7 mmtt -141.99 173.5 11.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.815 0.34 . . . . 73.31 111.237 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 7.8 mpt_? -125.63 160.89 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 64.0 109.238 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 m-90 -68.92 89.5 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.439 0.462 . . . . 72.05 111.573 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 m -143.99 100.29 3.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.616 -0.72 . . . . 64.34 109.55 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.72 -30.57 70.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.395 . . . . 71.31 111.835 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.32 -44.23 96.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.02 0.438 . . . . 74.15 110.324 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -64.32 -41.76 96.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.758 -0.656 . . . . 64.13 109.254 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 64.4 ttt-85 -57.58 -47.4 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 73.25 110.869 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -65.04 -36.99 86.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.106 0.41 . . . . 70.44 112.106 -176.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 30' ' ' ARG . 67.1 mtt180 -81.28 -43.37 19.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.617 0.229 . . . . 74.33 111.617 -176.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.28 -26.81 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 35.31 110.239 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 10.6 tt -57.73 -37.34 73.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.549 176.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.85 -41.96 82.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 71.23 110.04 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.8 -44.02 94.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.34 109.777 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD12 HG13 ' A' ' 39' ' ' ILE . 51.5 tp -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.408 -0.815 . . . . 44.31 110.556 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.36 -55.13 34.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 74.44 111.628 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.38 -26.03 66.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.646 0.61 . . . . 75.13 112.646 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -104.81 -36.58 7.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.473 0.546 . . . . 73.5 112.473 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.516 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 48.8 mm -95.3 -32.76 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.911 -0.316 . . . . 74.13 111.452 -175.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m-85 -125.47 54.53 10.13 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 121.042 -0.263 . . . . 73.05 111.352 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 10.5 Cg_exo -70.15 -56.48 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.674 1.583 . . . . 64.34 112.519 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -105.5 -2.29 23.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 53.22 111.355 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.8 pt -112.56 13.68 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 111.707 0.262 . . . . 75.33 111.707 -174.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.25 -4.54 37.19 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.198 -0.525 . . . . 65.23 113.565 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 m -86.46 -1.07 57.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.977 0.388 . . . . 70.53 110.949 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -82.89 134.87 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.407 -0.36 . . . . 63.32 110.587 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.26 142.92 30.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.969 -0.752 . . . . 75.41 108.969 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.898 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 14.8 tt -58.78 -20.35 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 112.62 0.6 . . . . 75.41 112.62 -174.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -67.56 -21.7 65.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.806 0.336 . . . . 71.24 111.168 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -146.21 83.59 1.62 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.625 0.726 . . . . 73.01 109.871 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.626 HD13 ' H ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -77.82 150.11 34.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.977 -1.011 . . . . 71.53 109.004 178.265 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 56' ' ' LEU . 97.5 mttt -94.43 170.41 9.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.128 0.49 . . . . 64.42 111.826 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.774 HG22 ' H ' ' A' ' 54' ' ' SER . 2.5 m -73.92 -179.39 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.015 178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.774 ' H ' HG22 ' A' ' 53' ' ' THR . 3.4 m -68.01 12.57 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.547 0.943 . . . . 72.24 113.547 -172.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -74.8 -25.98 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 72.22 109.94 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 52' ' ' LYS . 3.6 pp -67.82 -13.69 62.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.685 -0.689 . . . . 73.4 111.638 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HG ' ' HG2' ' A' ' 61' ' ' LYS . 55.8 tp -72.94 -17.71 61.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.368 -0.378 . . . . 74.11 111.984 -176.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.12 -52.07 65.64 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.869 0.692 . . . . 51.23 112.869 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.619 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 71.0 Cg_exo -50.39 -48.82 18.53 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.508 2.139 . . . . 74.42 113.326 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 60' ' ' ILE . 4.1 mp -64.34 -31.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.31 0.576 . . . . 72.11 110.349 -178.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 58.5 mmtt -69.14 -24.41 64.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 74.14 112.054 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.39 -47.41 79.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.279 -0.419 . . . . 75.45 110.263 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.62 HG12 ' HB2' ' A' ' 68' ' ' LYS . 19.9 t -77.17 -34.23 21.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.409 0.624 . . . . 61.44 109.947 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.613 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.5 t70 -54.45 -54.25 43.28 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.974 -1.012 . . . . 75.42 111.177 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -64.87 -23.76 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.698 -0.683 . . . . 53.02 112.124 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.5 m -71.68 -11.52 60.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.838 0.351 . . . . 72.4 110.856 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.93 -11.21 7.82 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.782 -0.723 . . . . 64.31 112.372 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.958 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.6 mmpt? -87.01 22.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.261 0.553 . . . . 73.13 111.322 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 4.2 p-80 -61.05 -14.37 23.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.391 -0.822 . . . . 75.21 111.794 176.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.07 -50.37 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.224 -0.287 . . . . 43.34 110.224 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.32 -37.36 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 54.11 110.779 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.568 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . . . -60.13 -57.25 13.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 64.14 111.938 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.3 tp60 -57.88 -47.09 83.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 70.01 110.883 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -49.33 72.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.26 -0.882 . . . . 73.03 111.742 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.98 -35.21 64.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.111 0.412 . . . . 61.24 112.111 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.3 pp0? -70.63 -44.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.277 . . . . 72.12 111.076 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -66.43 -19.02 65.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.11 0.481 . . . . 72.0 110.735 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -64.65 -27.37 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 64.05 111.394 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 76' ' ' GLN . 7.4 p -64.89 -31.8 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.906 0.384 . . . . 64.41 110.72 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.2 m -61.17 -31.05 70.79 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.015 0.436 . . . . 73.22 110.466 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.75 61.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 42.31 110.383 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.5 -35.04 68.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.864 -0.607 . . . . 75.42 109.957 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.558 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 10.9 mmt -60.33 -33.03 71.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.677 -0.692 . . . . 73.13 111.449 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -68.35 -31.34 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.75 0.309 . . . . 64.12 110.992 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 16' ' ' TRP . 19.1 m-85 -73.09 -29.57 63.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 65.21 110.417 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.87 75.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.071 -0.513 . . . . 65.2 110.052 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 83' ' ' MET . 92.4 t -66.78 -36.07 76.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.306 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.682 . . . . 73.12 110.167 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -95.29 5.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 73.41 111.098 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.4 t70 53.21 39.02 29.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.922 0.868 . . . . 52.43 110.439 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.611 ' HE2' HG23 ' A' ' 48' ' ' ILE . 8.6 t80 -87.39 -20.14 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.309 -0.86 . . . . 73.3 110.905 -174.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.5 pt -117.01 154.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 75.24 110.646 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.17 -31.39 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.362 0.601 . . . . 73.13 110.198 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.9 m -110.16 162.27 14.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.012 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -118.17 86.28 26.36 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.904 0.383 . . . . 64.45 110.763 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.72 -175.38 2.26 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.518 2.145 . . . . 75.42 111.861 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.2 12.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.157 -0.474 . . . . 62.43 111.459 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -89.31 -17.51 28.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.92 0.39 . . . . 54.44 110.674 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -125.24 68.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.445 0.641 . . . . 73.3 110.659 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.78 13.62 18.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.928 -0.578 . . . . 73.13 110.239 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.565 -0.743 . . . . 64.23 110.194 178.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 121.932 0.873 . . . . 75.12 108.646 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 11' ' ' THR . 0.3 OUTLIER -62.56 161.95 11.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 113.893 -1.503 . . . . 62.24 111.132 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.474 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 42.7 t80 -49.05 -49.18 42.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 75.44 112.287 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -37.69 77.48 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 121.241 -0.184 . . . . 72.51 111.341 -173.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 8' ' ' THR . 12.4 t -70.36 -30.96 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.871 -0.518 . . . . 71.44 111.279 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 86' ' ' ALA . 60.0 mt -76.13 -38.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.547 -0.538 . . . . 74.11 109.547 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -63.92 -29.49 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 74.12 110.331 174.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.492 HH21 ' CD ' ' A' ' 25' ' ' GLU . 3.3 mmt-85 -52.92 -32.4 45.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.708 -0.678 . . . . 74.2 112.153 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -57.25 -55.29 36.62 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.505 0.503 . . . . 75.11 110.547 -176.694 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.644 ' HE1' HG12 ' A' ' 82' ' ' ILE . 70.1 p-90 -80.64 -32.57 36.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.726 -0.215 . . . . 72.22 111.001 175.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -50.93 -28.33 9.49 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.88 0.696 . . . . 51.53 112.88 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 9.9 pt-20 -65.49 -20.7 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.518 0.199 . . . . 74.54 111.489 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -79.0 -20.57 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.45 . . . . 63.13 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -78.97 176.89 9.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 73.41 109.719 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.688 ' HB3' ' HZ3' ' A' ' 23' ' ' TRP . 62.9 mmtt -72.79 99.43 2.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.636 0.731 . . . . 73.21 111.328 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HD3' ' OE2' ' A' ' 25' ' ' GLU . 1.2 tmm_? -137.42 98.29 3.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.93 -1.032 . . . . 73.23 109.169 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.688 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 44.0 p90 -106.6 -1.89 22.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.487 -0.779 . . . . 73.14 110.772 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -163.2 140.28 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.935 -0.575 . . . . 74.22 110.234 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 21.4 mm-40 -69.16 -27.37 65.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.655 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.47 -35.72 74.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 74.22 110.852 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -63.86 -28.31 69.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.643 -0.708 . . . . 62.52 111.283 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 23.8 ptt180 -72.22 -24.55 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.563 -0.455 . . . . 72.24 110.293 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -73.0 -33.09 65.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.228 0.537 . . . . 71.21 110.298 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.4 -39.05 62.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 70.34 111.007 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 28' ' ' ARG . 32.7 m -83.71 -14.61 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 74.35 111.271 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 7.4 tt -53.13 -51.45 61.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.871 0.367 . . . . 63.32 110.377 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.376 -0.374 . . . . 75.41 110.812 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -70.18 -48.24 58.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 74.45 110.522 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HA ' HG12 ' A' ' 39' ' ' ILE . 4.0 pp -70.46 -29.55 66.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 71.24 111.155 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 43.8 tt0 -75.0 -29.93 61.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 73.43 111.205 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 41' ' ' PRO . 41.2 tp -98.61 -27.11 14.15 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.341 0.497 . . . . 53.44 112.341 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -108.8 -34.96 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.523 0.564 . . . . 54.53 112.523 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG12 ' HA ' ' A' ' 35' ' ' LEU . 43.8 mm -85.3 -57.68 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.757 0.313 . . . . 72.5 110.405 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' HG13 ' A' ' 43' ' ' ILE . 8.5 p90 -131.23 76.22 76.55 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.067 0.461 . . . . 72.03 110.885 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 56.1 Cg_endo -76.01 -57.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.498 2.132 . . . . 40.13 113.884 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.93 -16.23 34.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 74.0 110.618 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.641 HG13 ' HB2' ' A' ' 40' ' ' PHE . 24.1 pt -102.85 9.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.54 . . . . 73.24 110.454 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.473 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -74.82 1.75 52.48 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.87 -0.605 . . . . 62.33 112.298 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 p -87.75 -10.73 50.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.169 0.509 . . . . 75.11 110.002 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -107.56 113.02 26.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.677 -0.692 . . . . 72.41 110.471 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 23.0 t70 -79.78 161.92 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.887 -0.597 . . . . 72.43 110.04 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 12' ' ' ILE . 16.5 tt -57.04 -23.87 19.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 122.591 0.356 . . . . 72.01 111.495 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 47' ' ' ASP . 24.9 ptt180 -54.75 -26.79 36.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.147 -0.479 . . . . 75.02 111.168 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -148.75 85.37 1.49 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.891 0.377 . . . . 74.44 110.508 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 52' ' ' LYS . 18.5 tp -92.67 161.77 14.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.699 -0.482 . . . . 63.43 109.699 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 94.2 mttt -117.38 176.47 5.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 61.21 110.405 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -69.68 -164.4 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.015 0.436 . . . . 74.12 111.628 -178.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.56 ' H ' HG22 ' A' ' 53' ' ' THR . 16.0 m -66.48 11.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.853 0.686 . . . . 72.44 112.853 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -65.62 -28.4 69.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.262 -0.644 . . . . 73.12 109.262 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.59 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.6 pp -73.48 -14.91 61.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.267 -0.878 . . . . 71.54 111.169 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 tp -73.28 -21.39 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 52.14 110.589 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.647 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -59.15 -51.29 82.75 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.026 0.38 . . . . 60.05 112.026 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 50.5 Cg_exo -56.84 -31.59 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.213 1.942 . . . . 73.21 112.84 173.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -68.55 -28.63 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.888 -0.412 . . . . 70.23 109.888 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.871 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 0.6 OUTLIER -68.94 -25.33 64.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 73.01 110.448 -178.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -58.34 -49.91 75.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 74.2 109.995 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.74 -33.29 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.002 0.43 . . . . 64.44 110.429 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.871 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.46 -58.01 10.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.776 -0.647 . . . . 65.4 111.908 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -71.71 -12.62 61.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.451 . . . . 75.31 111.237 -173.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -15.7 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.957 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.3 -3.13 7.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.59 -0.815 . . . . 72.24 112.349 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 18.66 10.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.794 0.33 . . . . 71.31 110.179 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.462 ' HB2' ' OD1' ' A' ' 64' ' ' ASP . 5.4 p-80 -54.65 -41.91 70.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.363 -0.835 . . . . 73.15 112.148 -170.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.84 -38.94 61.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 75.45 110.464 -174.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 38.7 t -72.98 -48.86 42.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.683 -0.69 . . . . 74.21 110.445 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.18 93.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.957 -0.565 . . . . 63.03 111.29 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 17.2 tt0 -59.12 -46.42 88.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 74.11 110.968 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -63.06 -38.41 91.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.261 -0.881 . . . . 64.34 110.813 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 97.4 mt -73.19 -46.54 49.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.452 -0.34 . . . . 72.51 111.438 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 79' ' ' VAL . 4.7 pp0? -61.48 -37.54 83.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 73.43 111.143 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -20.02 62.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.762 -0.654 . . . . 64.34 111.41 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.58 ' O ' HG13 ' A' ' 82' ' ' ILE . 28.3 mmt180 -64.11 -32.52 74.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.732 -0.213 . . . . 74.42 111.319 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 76' ' ' GLN . 13.2 m -66.91 -31.91 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.794 0.33 . . . . 74.25 110.296 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.561 HG23 ' HB1' ' A' ' 97' ' ' ALA . 3.1 m -60.83 -40.38 92.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.072 -0.513 . . . . 54.24 110.351 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.4 81.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.781 -0.645 . . . . 65.11 110.565 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.644 HG12 ' HE1' ' A' ' 16' ' ' TRP . 40.7 mt -59.89 -45.08 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.102 177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 92.7 mmm -64.49 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 75.4 110.945 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 2.7 tmt_? -67.14 -38.84 86.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.263 -0.426 . . . . 75.02 110.023 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -73.99 -41.63 61.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.002 0.429 . . . . 73.14 110.387 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 12' ' ' ILE . . . -65.01 -40.87 95.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.296 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 84' ' ' ARG . 2.7 p -68.1 -27.62 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.436 -0.347 . . . . 74.34 110.508 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.72 74.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.823 -0.626 . . . . 72.13 109.7 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -89.01 1.23 55.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 75.53 110.577 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.4 t0 55.72 40.28 30.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.074 0.94 . . . . 74.24 109.209 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -101.07 -18.12 16.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.937 -1.029 . . . . 55.14 112.081 -168.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.551 HG13 ' H ' ' A' ' 93' ' ' ASP . 2.1 pt -103.41 -88.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.758 1.021 . . . . 74.45 113.758 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.551 ' H ' HG13 ' A' ' 92' ' ' ILE . 35.3 t70 -177.34 46.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.424 -0.584 . . . . 72.35 109.424 -170.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.595 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 56.8 m 71.45 -158.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.157 -0.928 . . . . 52.41 110.591 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.85 87.71 7.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 111.937 0.347 . . . . 64.43 111.937 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.595 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.1 Cg_exo -76.64 -17.98 15.67 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.697 2.265 . . . . 62.3 112.255 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.561 ' HB1' HG23 ' A' ' 80' ' ' THR . . . -93.91 82.68 4.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.196 0.522 . . . . 73.11 110.822 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -133.6 139.06 46.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.91 -0.586 . . . . 73.14 110.073 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.06 15.37 10.05 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.101 0.953 . . . . 34.14 109.646 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.7 -33.93 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.956 -1.02 . . . . 73.22 110.765 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 62.12 111.06 179.046 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.42 ' CE2' HG12 ' A' ' 12' ' ' ILE . 11.1 t80 . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 121.687 0.756 . . . . 64.42 109.054 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' HG13 ' A' ' 12' ' ' ILE . 12.6 m -61.59 142.73 56.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.693 -1.14 . . . . 62.54 112.681 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.789 ' HD1' ' HB ' ' A' ' 48' ' ' ILE . 93.5 t80 -49.18 -46.33 45.32 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.159 -0.928 . . . . 73.31 111.673 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.44 -33.23 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 71.24 110.642 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 m -68.33 -40.18 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.059 0.457 . . . . 55.53 110.637 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 86' ' ' ALA . 22.5 mt -63.72 -41.15 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 44.11 109.933 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -65.03 -37.78 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 63.4 110.553 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.475 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 21.5 ttt180 -63.75 -37.3 86.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.936 -0.575 . . . . 74.3 111.201 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.85 -55.23 28.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.977 -0.556 . . . . 74.0 111.463 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.703 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.7 p-90 -79.15 -25.16 42.88 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.272 -0.571 . . . . 74.44 110.887 178.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 81.9 t60 -61.03 -31.25 70.88 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.827 -0.17 . . . . 61.34 111.358 174.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.6 mt-10 -72.79 -3.27 24.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.739 0.305 . . . . 74.23 111.184 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 m -88.59 0.37 56.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.296 0.569 . . . . 64.54 109.563 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -106.32 -174.91 2.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.575 -0.739 . . . . 54.3 109.102 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 1.5 tmtp? -113.99 -26.27 8.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.501 0.185 . . . . 62.34 111.501 -174.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HG3' ' H ' ' A' ' 23' ' ' TRP . 6.2 tpt180 -92.71 174.79 7.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.156 0.503 . . . . 73.01 111.472 -172.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.518 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 9.1 m95 49.7 81.0 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.731 -1.122 . . . . 71.31 112.965 -177.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -73.87 174.72 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.271 -0.877 . . . . 62.5 109.31 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.95 -41.75 92.55 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.687 0.254 . . . . 75.3 111.687 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.34 -46.02 69.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 71.31 110.661 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -73.75 -30.24 62.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 64.44 110.389 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.9 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.53 . . . . 71.45 110.036 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -67.82 -35.06 77.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.141 -0.481 . . . . 73.41 111.287 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -78.99 -42.31 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 74.43 110.983 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -62.82 -13.87 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.88 -0.6 . . . . 54.44 111.091 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 2.6 tm? -51.64 -32.17 28.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.668 0.387 . . . . 60.43 110.999 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -66.84 -51.77 51.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 74.32 110.253 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.31 -34.95 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 74.12 110.133 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.957 HD22 ' HB ' ' A' ' 39' ' ' ILE . 2.5 tm? -52.48 -59.95 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.949 -1.023 . . . . 51.25 109.65 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 43.9 mt-10 -55.51 -30.31 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.994 0.738 . . . . 75.32 112.994 -174.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 37' ' ' LEU . 4.0 mm? -92.68 -39.47 11.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.753 0.649 . . . . 63.3 112.753 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -113.25 -41.64 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.802 0.667 . . . . 72.22 112.802 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.957 ' HB ' HD22 ' A' ' 35' ' ' LEU . 34.7 mm -100.84 102.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 71.13 109.581 -173.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CZ ' ' HE2' ' A' ' 9' ' ' PHE . 5.0 m-85 67.25 58.37 0.85 Allowed Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 114.112 -1.404 . . . . 75.44 109.444 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 29.4 Cg_endo -63.38 -56.54 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.18 1.92 . . . . 75.11 113.412 -170.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.98 -5.7 21.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 71.45 110.668 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 40' ' ' PHE . 30.0 pt -105.53 -9.92 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.271 -0.422 . . . . 73.35 111.212 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.23 33.8 2.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.093 -0.575 . . . . 72.13 112.413 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -107.93 -10.37 15.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.575 -0.528 . . . . 73.15 109.575 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -131.07 140.44 50.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 43.31 110.2 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . 13.0 t70 -79.44 164.11 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.397 -0.365 . . . . 74.42 110.968 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.861 ' HA ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 tt -57.31 -34.89 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 113.095 0.776 . . . . 73.3 113.095 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 92' ' ' ILE . 70.4 ttt180 -66.17 -9.59 33.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.33 111.646 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.539 ' NE2' ' HB3' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -138.23 18.07 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.313 -0.403 . . . . 34.12 110.535 178.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.861 ' HG ' ' HA ' ' A' ' 48' ' ' ILE . 20.9 mt -59.28 162.18 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.427 0.632 . . . . 71.21 111.36 173.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -109.34 176.09 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.57 -0.741 . . . . 72.3 111.07 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.454 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.4 p -73.14 -162.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.786 -0.643 . . . . 61.23 111.987 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.3 m -60.6 5.56 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.95 1.093 . . . . 75.23 113.95 -170.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -64.86 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.387 -0.598 . . . . 73.03 109.387 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 60' ' ' ILE . 1.5 pt? -65.73 -14.25 60.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.271 -0.877 . . . . 61.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.42 -18.93 63.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.57 -0.286 . . . . 75.01 111.452 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.63 -55.49 44.2 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.485 0.55 . . . . 61.02 112.485 -177.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 36.5 Cg_endo -67.57 -18.49 48.68 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.745 1.63 . . . . 61.01 113.21 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.603 HG23 ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp -79.11 -26.7 13.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.949 -0.76 . . . . 74.13 108.949 172.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -71.65 -40.43 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.885 -0.598 . . . . 73.24 110.542 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 59' ' ' PRO . 12.5 pt-20 -67.11 -35.5 79.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.325 -0.398 . . . . 73.0 110.912 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 60' ' ' ILE . 27.6 m -76.43 -30.13 19.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.033 0.444 . . . . 61.23 110.477 176.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.578 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -61.01 -46.02 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 73.35 110.289 171.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.0 m -79.99 -12.76 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.56 . . . . 73.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 t -72.69 -22.11 60.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 42.22 110.414 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.64 -31.14 3.45 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.756 -0.735 . . . . 73.34 112.179 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.95 51.99 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 75.51 110.462 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 6.3 p80 -68.95 -19.76 64.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.3 -0.864 . . . . 62.15 110.879 -177.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.42 -42.18 75.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 74.23 109.725 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.6 -45.35 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 64.12 109.763 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.603 ' HB1' HG23 ' A' ' 60' ' ' ILE . . . -55.74 -49.35 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.741 . . . . 72.34 111.099 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -56.45 -47.36 79.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.37 0.605 . . . . 51.23 110.443 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -57.97 -40.9 81.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.332 -0.849 . . . . 60.13 111.599 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 39' ' ' ILE . 2.4 mm? -59.25 -40.98 87.66 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.875 0.11 . . . . 73.33 111.244 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -61.55 -46.76 88.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.69 0.757 . . . . 61.54 109.632 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -64.02 -42.06 97.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.825 -1.079 . . . . 60.51 110.886 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.537 HH11 HD22 ' A' ' 75' ' ' LEU . 59.2 mtt85 -57.39 -53.18 61.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.946 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.648 ' O ' ' HG2' ' A' ' 83' ' ' MET . 33.5 m -66.28 -32.26 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.009 -0.276 . . . . 60.23 111.241 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.6 m -59.11 -44.38 91.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.738 0.304 . . . . 72.33 110.701 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.8 90.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.265 -0.425 . . . . 75.15 110.324 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.703 HG12 ' HE1' ' A' ' 16' ' ' TRP . 77.0 mt -59.3 -41.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 70.12 110.998 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 38.6 mmt -54.35 -51.03 66.04 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.264 -0.425 . . . . 65.44 110.489 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.8 ttm180 -58.92 -45.11 91.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 74.11 111.774 -175.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -68.06 -34.39 76.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.82 0.343 . . . . 75.04 111.167 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 12' ' ' ILE . . . -69.48 -37.03 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 75.11 110.854 178.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 83' ' ' MET . 96.1 t -65.62 -40.07 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 71.13 110.569 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 79.1 mm-40 -62.69 -32.69 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 70.34 111.271 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -5.19 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.43 -0.35 . . . . 70.35 110.981 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.56 26.12 15.52 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.55 0.574 . . . . 63.45 112.55 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -91.17 -51.9 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.286 0.476 . . . . 51.23 112.286 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.517 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 41.2 pt -69.35 -23.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.656 0.243 . . . . 61.03 111.656 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 70.75 -59.27 0.54 Allowed 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.044 0.84 . . . . 71.2 111.846 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -81.42 171.67 14.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.083 -0.508 . . . . 64.11 110.756 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -119.87 85.91 35.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.913 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.59 ' HG2' ' SD ' ' A' ' 83' ' ' MET . 72.3 Cg_endo -78.97 -178.15 4.44 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.711 1.607 . . . . 65.54 111.136 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 50.81 26.04 2.42 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.289 0.368 . . . . 63.11 111.78 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -66.6 0.5 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.007 0.432 . . . . 72.21 111.179 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.31 64.23 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.244 -1.021 . . . . 53.05 108.244 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.448 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.8 tmt? -96.48 -34.77 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.654 -1.157 . . . . 72.34 111.254 -170.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.321 -0.4 . . . . 53.05 110.296 -178.738 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.127 0.489 . . . . 72.0 110.574 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 11' ' ' THR . 12.4 p -106.14 -167.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 71.43 111.473 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.411 ' N ' ' HB ' ' A' ' 48' ' ' ILE . 50.4 t80 -66.9 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.438 . . . . 53.2 110.981 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -61.71 -42.4 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 75.14 111.882 -175.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 8' ' ' THR . 15.3 t -66.12 -29.78 70.15 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.951 0.352 . . . . 51.33 111.951 -171.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 85' ' ' TYR . 46.1 mm -72.52 -46.59 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 73.42 110.331 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.62 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.21 0.529 . . . . 73.12 110.262 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.69 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 2.2 tmt_? -58.77 -28.77 66.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.108 -0.951 . . . . 73.42 111.136 -177.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.22 -59.1 2.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 33.31 111.566 -174.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -81.64 -35.17 30.31 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.459 0.54 . . . . 74.41 112.459 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -73.47 -22.29 60.2 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.385 0.513 . . . . 72.43 112.385 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.9 tt0 -50.11 -47.72 53.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.987 0.736 . . . . 64.44 112.987 -169.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 t -84.46 3.88 34.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.024 0.379 . . . . 63.25 112.024 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.24 99.79 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.788 -0.365 . . . . 72.05 111.976 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -172.34 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.603 . . . . 73.21 109.514 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HD2' ' OG ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -162.83 114.33 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.91 -0.774 . . . . 72.15 108.91 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -71.79 91.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 70.41 111.424 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 22' ' ' ARG . 10.6 p 175.95 119.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.165 -0.925 . . . . 65.23 109.193 173.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.5 pm0 -62.63 -32.68 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.362 0.505 . . . . 73.22 112.362 -172.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.28 -47.47 79.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.304 0.573 . . . . 70.43 110.402 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 31' ' ' VAL . 9.5 m-70 -72.57 -33.16 66.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 72.14 109.5 -178.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.3 tpt85 -65.55 -37.71 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.406 -0.815 . . . . 74.13 111.246 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -77.42 -39.96 45.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.65 0.262 . . . . 71.45 111.413 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -64.85 -33.83 76.93 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.913 0.338 . . . . 70.42 111.913 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 28' ' ' ARG . 27.8 m -66.09 -16.18 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.634 0.254 . . . . 73.53 111.474 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.77 -36.38 84.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.476 . . . . 64.41 109.892 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -71.75 -32.91 68.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.044 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.77 -24.33 59.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 75.01 109.684 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' A' ' 39' ' ' ILE . 29.4 tp -60.91 -31.88 71.37 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.387 -0.824 . . . . 62.01 110.514 177.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -75.33 -29.26 59.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 65.31 110.995 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 38' ' ' TYR . 3.1 tt -81.32 -65.25 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 72.41 111.51 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD2' HD22 ' A' ' 37' ' ' LEU . 2.6 m-85 -102.9 5.87 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.317 0.488 . . . . 72.53 112.317 -172.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.64 ' HB ' ' O ' ' A' ' 35' ' ' LEU . 29.2 mm -121.5 129.26 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 109.007 -0.738 . . . . 60.23 109.007 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.771 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 36.7 m-85 65.06 54.83 1.2 Allowed Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.633 -1.167 . . . . 72.15 111.047 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -55.76 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.067 1.845 . . . . 74.54 112.557 -175.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -105.2 -10.85 16.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 64.52 110.699 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 56' ' ' LEU . 36.2 pt -112.04 15.03 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.267 -0.424 . . . . 74.22 112.097 -170.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.771 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -60.95 -29.22 70.15 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.167 -0.54 . . . . 43.14 113.784 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.7 m -96.32 16.36 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.141 0.423 . . . . 64.2 112.141 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -75.82 169.9 17.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.745 0.307 . . . . 71.0 110.657 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -104.67 165.06 11.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 74.32 109.395 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' HB ' ' N ' ' A' ' 9' ' ' PHE . 6.2 tt -77.71 -38.38 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.915 0.388 . . . . 40.34 110.118 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' ' 92' ' ' ILE . 35.3 mtp180 -80.69 -22.91 39.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.369 -0.604 . . . . 54.43 109.369 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.849 HE21 ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -131.96 85.05 2.21 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.335 -0.848 . . . . 72.34 110.387 177.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -96.22 160.97 14.15 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.488 -1.233 . . . . 64.14 109.484 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -75.9 158.39 32.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 73.54 111.528 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.407 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.27 -162.3 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.53 -0.759 . . . . 72.25 110.751 175.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' A' ' 100' ' ' MET . 16.9 m -65.49 8.31 0.17 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.537 0.569 . . . . 52.31 112.537 -175.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 53' ' ' THR . 21.2 m-70 -70.05 -26.77 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.169 -0.678 . . . . 63.44 109.169 173.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' HB3' HG21 ' A' ' 43' ' ' ILE . 4.5 pp -65.59 -15.62 62.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.53 -0.759 . . . . 73.22 111.288 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.31 -24.09 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.389 . . . . 72.52 111.021 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -55.38 45.44 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.106 0.41 . . . . 72.12 112.106 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.33 -24.25 37.48 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.743 1.629 . . . . 50.22 112.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 63' ' ' VAL . 47.7 mm -73.81 -24.29 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 73.13 109.536 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -70.3 -39.78 74.63 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.601 -0.439 . . . . 71.13 110.872 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.85 -33.59 70.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.766 -0.373 . . . . 71.21 110.86 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 10.8 m -74.19 -31.62 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.507 -0.553 . . . . 70.42 109.507 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -56.33 23.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.492 -0.776 . . . . 61.21 110.499 172.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -72.42 -12.47 61.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.492 -0.776 . . . . 71.12 111.188 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -66.49 -11.5 52.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.185 -0.461 . . . . 61.33 110.605 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.74 3.89 10.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.362 -0.923 . . . . 40.14 113.117 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -122.19 56.15 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.569 0.699 . . . . 74.44 110.621 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -58.95 -42.16 89.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 72.41 110.472 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 7.9 m-20 -61.38 -44.07 97.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.614 -0.721 . . . . 54.2 110.271 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 44.9 t -63.99 -46.62 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.62 -0.718 . . . . 52.53 110.295 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -55.84 -47.55 77.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 73.43 111.22 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -61.04 -44.3 97.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.048 0.451 . . . . 71.43 111.185 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.614 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 5.8 mpt_? -60.19 -41.05 92.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.986 -0.552 . . . . 72.43 111.176 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 88.1 mt -61.06 -36.38 79.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.681 0.252 . . . . 72.32 111.681 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 9.1 mm-40 -56.09 -50.42 71.08 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.731 . . . . 53.44 109.732 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.89 -20.73 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.803 -1.09 . . . . 63.4 111.737 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.614 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 6.2 mpt_? -72.33 -53.61 11.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.679 -0.237 . . . . 73.12 111.136 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.54 -34.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.848 0.314 . . . . 71.52 111.848 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.3 m -64.33 -40.04 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 54.41 110.483 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.06 81.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 52.01 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 78' ' ' ARG . 57.7 mt -64.57 -51.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 71.45 110.047 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.536 ' HG3' HD13 ' A' ' 92' ' ' ILE . 32.8 ttm -59.68 -39.96 86.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.316 -0.856 . . . . 71.41 111.702 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 19.3 tpt180 -66.04 -29.09 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.708 -0.224 . . . . 61.4 111.453 -175.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.424 ' HD2' HG23 ' A' ' 12' ' ' ILE . 25.5 t80 -74.79 -34.8 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 64.41 109.86 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.73 -17.87 64.13 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.798 -0.637 . . . . 72.13 111.777 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.496 HG22 HD11 ' A' ' 92' ' ' ILE . 58.5 t -58.91 -44.23 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.948 0.404 . . . . 70.14 110.191 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -71.28 -23.7 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 62.32 110.257 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -87.58 7.0 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.526 -0.761 . . . . 73.24 111.367 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.95 3.1 4.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 112.356 0.502 . . . . 71.43 112.356 172.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.57 -52.94 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 72.51 111.894 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' A' ' 83' ' ' MET . 29.2 pt -102.62 160.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.09 0.472 . . . . 71.22 112.002 -173.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.14 -31.27 6.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.541 -0.754 . . . . 73.14 110.411 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 23.1 t -130.28 156.94 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 63.34 110.085 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.409 HD21 HG22 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -112.87 87.33 10.05 Favored Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.462 -0.336 . . . . 74.23 110.94 -179.013 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.456 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 16.4 Cg_exo -68.33 -16.04 43.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.678 2.252 . . . . 75.11 112.528 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.77 6.91 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 74.04 111.789 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -90.9 -8.33 49.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 63.22 111.233 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.39 -39.44 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.723 0.297 . . . . 55.14 111.674 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.666 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 2.0 ppp? -70.05 -27.19 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 65.41 112.727 -173.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.187 0.518 . . . . 52.51 111.136 -177.106 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.442 0.534 . . . . 73.04 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 21.1 m -91.81 128.24 37.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.112 -0.494 . . . . 70.24 110.204 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -52.28 -50.12 62.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.06 -0.518 . . . . 74.14 111.809 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.47 -31.99 72.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 71.24 111.428 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.415 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 20.6 m -73.04 -31.76 64.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.376 . . . . 75.14 111.423 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.2 -28.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.374 0.607 . . . . 72.41 109.389 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 71.34 110.931 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 17.3 tpp180 -51.75 -35.73 44.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.043 -0.526 . . . . 64.35 111.794 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 55.02 111.398 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -82.48 -28.28 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.781 0.289 . . . . 71.31 111.781 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 53.6 t60 -52.13 -28.8 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.704 0.631 . . . . 75.14 112.704 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 21.4 mm-40 -63.77 -8.11 9.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.177 0.436 . . . . 51.11 112.177 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -80.59 -14.88 57.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 61.12 110.345 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -96.69 157.54 15.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 75.33 109.881 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -130.74 170.73 13.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.718 0.294 . . . . 72.32 111.603 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 4.3 tmt_? 67.2 90.42 0.09 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.228 -0.896 . . . . 73.24 110.696 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -134.57 -178.61 5.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.636 -0.711 . . . . 74.14 110.426 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -155.75 115.74 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.605 . . . . 64.04 109.499 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -62.1 -27.79 69.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.122 -0.49 . . . . 61.55 112.079 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.29 -51.45 20.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.962 0.411 . . . . 74.2 110.702 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.9 -27.54 64.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.354 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -47.53 -46.98 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 61.32 111.68 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -71.42 -28.01 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 71.13 111.47 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.64 -46.29 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.855 0.36 . . . . 71.54 110.208 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.93 -20.26 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 71.05 110.421 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.21 -36.29 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 65.4 110.472 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.4 HH11 HD11 ' A' ' 37' ' ' LEU . 3.9 mmt180 -65.71 -38.29 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 72.24 110.826 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 81.1 t80 -67.98 -39.27 83.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.511 -0.552 . . . . 74.51 109.511 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD12 HD12 ' A' ' 39' ' ' ILE . 43.2 tp -56.46 -53.9 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.281 -0.872 . . . . 72.22 111.396 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.91 -31.01 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 72.45 111.847 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD11 HH11 ' A' ' 33' ' ' ARG . 8.6 mp -84.04 -2.32 56.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.669 0.248 . . . . 72.11 111.669 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 7.4 t80 -123.42 -58.91 1.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 72.01 111.469 -173.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.617 HD13 ' HG ' ' A' ' 75' ' ' LEU . 64.5 mt -94.4 -31.8 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.949 -0.569 . . . . 65.24 111.796 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -122.54 54.78 6.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.908 -0.317 . . . . 74.22 111.077 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.84 -58.46 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.437 1.424 . . . . 72.12 112.808 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.33 -15.85 14.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.816 0.341 . . . . 75.51 111.405 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 56' ' ' LEU . 45.8 pt -87.43 2.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.422 -0.354 . . . . 75.21 111.169 -175.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.03 -1.46 63.11 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.886 -0.673 . . . . 73.12 111.616 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 t -88.69 -2.38 58.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.422 . . . . 65.03 110.265 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 m -103.81 124.6 49.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 53.01 110.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.81 167.13 12.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.195 -0.457 . . . . 70.24 110.245 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -59.55 -37.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.192 0.441 . . . . 72.01 112.192 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 72.1 mtm180 -74.66 -35.05 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.757 0.313 . . . . 61.52 111.017 -177.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 78.75 1.41 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.699 ' HB3' ' HG3' ' A' ' 96' ' ' PRO . 31.7 tp -102.27 161.41 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 74.42 109.952 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.4 mmtp -100.79 174.64 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 75.42 112.07 -173.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.2 p -97.23 -161.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.955 -1.02 . . . . 62.11 111.764 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 m -59.12 -0.59 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.898 1.073 . . . . 62.14 113.898 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -63.46 -31.69 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.064 0.459 . . . . 74.45 109.836 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 60' ' ' ILE . 4.1 pp -76.46 -15.51 59.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 71.42 111.685 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.29 -33.24 75.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.64 0.257 . . . . 74.21 111.193 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.55 44.11 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.99 0.737 . . . . 71.21 112.99 -175.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.3 -31.38 43.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.828 1.686 . . . . 72.02 112.938 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 mp -73.97 -24.3 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.304 0.573 . . . . 70.03 109.828 177.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -67.19 -26.18 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 62.13 110.064 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.75 -33.72 64.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.323 -0.853 . . . . 73.21 110.698 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -65.26 -46.29 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.07 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 45.3 t0 -62.6 -37.48 86.42 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.522 -0.763 . . . . 74.13 110.191 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 m -56.65 -39.78 74.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 64.12 110.81 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 m -73.87 -38.81 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.099 0.476 . . . . 73.52 109.866 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 64' ' ' ASP . . . 152.75 -142.71 9.54 Favored Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.336 -1.106 . . . . 33.03 110.336 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 52.86 42.19 31.95 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.113 0.482 . . . . 73.44 111.151 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -17.76 54.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.53 -0.759 . . . . 74.53 111.556 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 14.3 t70 -76.02 -42.59 47.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 62.41 109.905 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.5 t -68.0 -50.6 57.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.417 -0.81 . . . . 62.41 111.254 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.34 -51.3 68.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.055 0.455 . . . . 54.33 110.942 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 30.8 tp60 -60.65 -44.83 95.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.492 -0.777 . . . . 73.53 110.397 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 17.2 tpt180 -55.33 -45.94 76.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.409 -0.814 . . . . 71.14 111.393 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.617 ' HG ' HD13 ' A' ' 39' ' ' ILE . 4.1 mm? -69.05 -41.6 77.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 51.33 111.664 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 19.8 pt20 -67.84 -37.64 82.16 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.609 -0.437 . . . . 70.02 110.472 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.87 -40.37 92.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.773 -0.649 . . . . 71.33 110.05 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.49 ' HD3' HD13 ' A' ' 75' ' ' LEU . 60.3 mtp180 -56.45 -44.14 80.2 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.847 177.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 83' ' ' MET . 53.5 t -57.94 -52.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.386 . . . . 62.34 110.795 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 p -61.74 -33.56 74.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.367 . . . . 74.4 111.733 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.31 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.973 0.416 . . . . 22.43 110.558 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.6 mt -63.79 -35.35 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 75.34 111.019 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 87' ' ' VAL . 20.7 mmt -58.41 -32.94 69.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.806 0.336 . . . . 41.34 111.01 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.35 -45.99 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.251 0.548 . . . . 70.45 110.262 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -69.07 -29.93 68.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 75.51 110.862 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.37 69.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 43.45 110.729 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 83' ' ' MET . 61.0 t -75.77 -46.62 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.098 0.475 . . . . 53.54 109.79 174.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.44 -43.27 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 64.21 111.156 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.494 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -91.09 6.07 46.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.298 -0.41 . . . . 74.31 111.083 -175.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.5 t70 58.31 67.26 0.96 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.477 0.656 . . . . 63.35 111.891 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 89' ' ' ASN . 51.5 m-85 -111.68 -46.82 3.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.793 -0.64 . . . . 72.32 111.35 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 pt -102.18 163.52 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.585 0.587 . . . . 72.12 112.585 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -104.57 -41.83 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.988 -1.005 . . . . 73.01 109.785 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -122.2 169.02 11.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.491 -0.777 . . . . 65.01 109.311 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -108.35 89.82 6.33 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 123.31 0.381 . . . . 71.35 110.611 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.699 ' HG3' ' HB3' ' A' ' 51' ' ' LEU . 43.7 Cg_endo -66.25 -172.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.951 2.434 . . . . 62.4 112.293 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.593 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . 59.56 30.63 20.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.566 0.698 . . . . 72.12 110.246 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -66.69 127.09 31.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.449 -0.796 . . . . 65.32 110.972 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t70 62.22 24.31 14.46 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.482 -0.781 . . . . 74.52 111.703 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.593 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.6 ppp? -75.68 -23.6 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.919 0.39 . . . . 75.22 110.749 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 74.13 110.585 179.641 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.399 0.143 . . . . 75.01 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m 55.85 94.75 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.606 0.566 . . . . 61.13 111.735 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.87 -39.59 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.895 -0.593 . . . . 75.0 110.794 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.51 -42.7 92.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.689 -0.687 . . . . 74.32 111.24 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -63.32 -40.44 97.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.93 0.395 . . . . 73.25 111.242 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 48' ' ' ILE . 61.3 mt -71.55 -32.37 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 72.31 110.646 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.07 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.289 0.566 . . . . 74.13 110.742 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 28.9 ttt-85 -70.86 -26.43 63.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.399 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -55.12 -52.37 63.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.822 -0.626 . . . . 73.14 111.846 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.9 p-90 -78.75 -24.67 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.633 -0.427 . . . . 72.12 110.812 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 2.5 t-80 -51.11 -28.56 10.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.201 0.6 . . . . 70.34 111.984 174.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.01 -27.31 68.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.815 0.672 . . . . 63.53 112.815 -174.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 p -92.46 21.6 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.387 0.514 . . . . 70.24 112.387 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -82.83 177.08 8.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.859 0.361 . . . . 61.13 110.908 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' HG3' ' A' ' 22' ' ' ARG . 15.4 ptpt -56.92 -56.34 22.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.691 0.626 . . . . 75.34 112.691 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' A' ' 22' ' ' ARG . 4.8 ppt_? -154.75 129.35 9.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.279 0.561 . . . . 72.33 110.572 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -72.28 97.96 2.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 75.22 111.496 -172.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 p -101.57 38.89 1.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.63 -0.714 . . . . 62.11 110.098 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 3.5 tp10 -58.88 -29.83 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 62.34 111.723 -172.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.06 -51.63 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 64.13 110.502 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -75.48 -28.21 59.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.774 -0.648 . . . . 72.45 110.687 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -65.33 -24.31 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 74.45 111.298 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -60.61 -38.25 84.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 75.35 110.129 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 30' ' ' ARG . 14.6 mmt180 -68.39 -34.73 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.517 0.675 . . . . 75.51 109.996 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.56 -21.68 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.987 -1.006 . . . . 64.25 111.015 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.99 -34.05 67.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.574 -0.285 . . . . 70.44 111.282 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.9 -43.4 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 74.04 110.307 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' O ' ' HD1' ' A' ' 38' ' ' TYR . 68.4 t80 -75.47 -45.75 36.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.208 -0.906 . . . . 74.33 109.867 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' HG22 ' A' ' 39' ' ' ILE . 10.2 tt -53.75 -48.75 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.498 -0.773 . . . . 75.14 111.659 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.39 -47.65 66.1 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.235 0.458 . . . . 65.02 112.235 -174.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.84 -2.63 55.21 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.175 0.435 . . . . 55.53 112.175 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' HD1' ' O ' ' A' ' 34' ' ' TYR . 72.4 m-85 -120.11 5.45 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 74.32 111.315 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 35' ' ' LEU . 7.7 tp -112.69 -43.59 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.638 -0.255 . . . . 75.11 111.014 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.618 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 1.1 p90 -147.43 71.07 11.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.553 . . . . 74.42 111.77 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -73.25 -55.14 0.1 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.595 2.197 . . . . 62.55 112.506 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -95.97 -40.62 9.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 73.52 110.872 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 43' ' ' ILE . 2.5 pp -92.9 12.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.001 -0.545 . . . . 72.45 112.14 -173.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.618 ' CA ' ' HB2' ' A' ' 40' ' ' PHE . . . -71.87 -17.39 76.85 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.782 -0.723 . . . . 73.45 112.969 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -90.47 15.33 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.105 0.479 . . . . 75.25 111.186 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 m -99.22 158.53 15.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 53.25 110.59 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -88.65 137.83 31.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.402 -0.592 . . . . 74.1 109.402 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 12' ' ' ILE . 15.9 tt -62.37 -22.03 28.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 112.196 0.443 . . . . 74.31 112.196 -174.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.988 ' HA ' HG22 ' A' ' 92' ' ' ILE . 37.2 ttt180 -75.96 -6.24 50.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.003 0.43 . . . . 74.32 110.416 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -127.76 74.27 1.52 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.758 0.79 . . . . 74.55 110.566 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.86 158.88 16.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 61.3 109.927 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -128.68 177.39 7.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.913 0.387 . . . . 74.05 111.466 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -66.62 -160.34 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.393 -0.821 . . . . 73.45 111.765 179.286 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.57 ' H ' HG22 ' A' ' 53' ' ' THR . 4.0 m -56.57 5.72 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.481 1.289 . . . . 74.53 114.481 -173.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -62.26 -28.54 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.17 -0.678 . . . . 73.42 109.17 172.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.722 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -63.91 -15.4 58.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.855 -1.066 . . . . 72.41 111.326 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.75 -18.74 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.987 0.366 . . . . 71.22 111.987 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.39 -56.0 36.47 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.57 0.582 . . . . 72.32 112.57 -177.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 50.2 Cg_exo -56.59 -37.39 97.64 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.109 1.872 . . . . 75.13 112.834 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.837 HG23 ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp -64.91 -25.53 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 70.25 110.269 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.654 ' HD3' ' OD1' ' A' ' 64' ' ' ASP . 17.7 mmtt -68.14 -24.66 65.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 73.23 111.531 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.92 -49.17 68.94 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.698 -0.853 . . . . 71.21 108.698 173.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.7 t -68.11 -46.23 81.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.505 -0.771 . . . . 72.11 112.062 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.654 ' OD1' ' HD3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -66.45 -40.8 89.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.644 0.259 . . . . 75.1 110.645 -175.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -78.3 -17.58 56.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.631 . . . . 50.5 110.571 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -72.31 -20.31 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 72.41 109.585 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.89 -22.31 4.86 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.694 -0.685 . . . . 44.21 112.172 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 5.2 mtmt -91.93 48.95 1.48 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.145 0.497 . . . . 62.24 110.969 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 1.9 p-80 -65.79 -29.77 70.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 64.31 111.666 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.63 -38.43 67.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.299 0.571 . . . . 75.13 109.85 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 47.3 t -67.95 -49.5 67.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 53.42 110.354 177.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.837 ' HB1' HG23 ' A' ' 60' ' ' ILE . . . -57.73 -36.41 72.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 72.03 111.324 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -57.25 -47.01 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.31 0.576 . . . . 73.4 110.241 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.21 -39.82 76.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.998 -1.001 . . . . 73.31 112.365 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.3 mm? -60.16 -37.27 79.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.632 0.253 . . . . 75.23 111.302 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -63.44 -43.66 96.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.872 0.844 . . . . 60.42 109.9 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.28 -30.05 70.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.403 -1.272 . . . . 75.11 111.18 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.36 -39.11 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.45 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.4 p -68.66 -34.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 121.058 -0.257 . . . . 41.1 111.531 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -65.18 -30.67 71.59 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.024 0.44 . . . . 74.31 110.374 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.7 77.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.307 -0.406 . . . . 72.44 110.114 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.793 HG12 ' HE1' ' A' ' 16' ' ' TRP . 62.6 mt -61.21 -44.65 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 72.22 110.281 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.549 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.9 mmt -60.74 -44.22 96.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 71.53 110.251 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -52.1 -49.53 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.84 -0.618 . . . . 72.52 111.439 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -68.0 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 74.14 111.361 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.54 69.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.523 -0.308 . . . . 41.11 110.962 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 83' ' ' MET . 80.7 t -66.72 -36.86 78.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.355 . . . . 55.34 110.642 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.32 -35.41 65.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 72.23 111.722 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -93.25 2.22 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.416 -0.356 . . . . 71.1 111.825 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 60.56 22.84 12.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.846 0.458 . . . . 64.34 110.452 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.434 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 58.0 t80 -71.42 -40.82 70.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 65.11 111.203 -172.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.988 HG22 ' HA ' ' A' ' 49' ' ' ARG . 7.7 pt -92.49 -87.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.423 0.527 . . . . 75.25 112.423 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.85 ' H ' HG13 ' A' ' 92' ' ' ILE . 15.0 t70 174.58 -77.41 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.087 0.47 . . . . 74.22 109.797 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 5.4 p -98.49 -176.49 3.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.745 -0.661 . . . . 63.25 109.927 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.97 87.58 19.2 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.993 0.425 . . . . 74.4 110.275 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.6 Cg_exo -75.79 -175.54 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.007 2.471 . . . . 60.42 112.283 -177.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.87 11.14 3.09 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.142 -0.935 . . . . 54.44 112.109 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 p -76.7 -57.56 3.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 72.42 111.377 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.93 11.34 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.738 0.78 . . . . 53.25 109.891 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt -82.89 88.76 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.588 -0.733 . . . . 73.02 110.183 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.383 -0.826 . . . . 51.33 110.519 178.08 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 70.14 112.063 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 m -72.87 160.32 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 75.44 110.455 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.8 ' HA ' ' HB ' ' A' ' 48' ' ' ILE . 77.7 t80 -52.72 -46.43 67.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.395 0.517 . . . . 75.13 112.395 -175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.65 -33.23 70.74 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.64 -0.254 . . . . 73.51 111.288 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -54.93 -47.0 75.01 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.409 0.522 . . . . 71.14 112.409 -173.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.612 ' HB ' HD13 ' A' ' 48' ' ' ILE . 42.5 mt -75.34 -32.71 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 53.32 110.666 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.721 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -67.25 -30.36 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.255 0.55 . . . . 62.12 110.37 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.96 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 32.7 ttt-85 -57.43 -28.57 63.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.396 -0.82 . . . . 74.4 111.827 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 85' ' ' TYR . 11.0 tp10 -54.41 -55.7 26.08 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.909 -0.587 . . . . 71.21 110.771 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.913 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 61.0 p-90 -79.6 -28.08 41.06 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 74.42 110.263 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.96 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 1.2 t-160 -50.21 -44.0 52.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.339 0.655 . . . . 73.3 110.911 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.12 -19.72 64.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.849 0.356 . . . . 73.41 111.53 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -112.55 17.41 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.894 0.378 . . . . 75.21 110.949 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.14 -42.94 59.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 70.34 110.73 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' HG3' ' H ' ' A' ' 22' ' ' ARG . 18.2 ptmt -144.38 -64.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.361 . . . . 62.4 111.344 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' H ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 ttp-105 -162.88 153.37 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 71.33 109.57 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -77.1 132.46 38.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.403 0.621 . . . . 71.4 111.768 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t -179.42 42.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.238 -1.393 . . . . 74.31 107.238 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG3' HH21 ' A' ' 14' ' ' ARG . 5.8 mm-40 -57.86 -23.88 55.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.329 1.603 . . . . 54.22 115.329 -164.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.16 -30.14 15.84 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.335 0.516 . . . . 73.32 111.452 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' HD2' HG21 ' A' ' 31' ' ' VAL . 30.5 p-80 -59.27 -27.64 66.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.378 -0.374 . . . . 75.5 111.955 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 2.0 ptm180 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.778 0.288 . . . . 74.51 111.778 -173.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -73.71 -31.81 63.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.286 0.565 . . . . 41.11 110.444 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.93 -40.69 46.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.624 -0.716 . . . . 75.21 110.199 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG21 ' HD2' ' A' ' 27' ' ' HIS . 61.1 t -70.09 -15.51 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 64.31 111.259 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD23 HD12 ' A' ' 35' ' ' LEU . 57.9 mt -50.57 -36.07 32.97 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.19 0.441 . . . . 72.34 112.19 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -30.39 70.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.946 0.403 . . . . 63.24 110.985 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.19 -41.6 22.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 53.55 109.798 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.717 HD12 HD23 ' A' ' 32' ' ' LEU . 98.4 mt -60.54 -46.68 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 65.25 111.259 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 50.3 mt-10 -55.46 -35.07 65.1 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.332 0.493 . . . . 72.21 112.332 -177.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.83 -45.51 7.28 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.606 0.595 . . . . 74.02 112.606 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -92.22 -19.18 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.977 0.418 . . . . 72.3 111.29 -172.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.619 HG22 ' CD2' ' A' ' 40' ' ' PHE . 26.4 mm -118.63 119.22 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.823 -0.806 . . . . 51.31 108.823 -175.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.871 ' HB2' HG13 ' A' ' 43' ' ' ILE . 16.0 p90 44.65 60.96 12.09 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.883 -1.053 . . . . 62.43 112.11 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.27 -47.89 11.09 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.982 2.455 . . . . 52.44 114.149 -172.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -100.19 -6.37 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 73.33 111.004 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.871 HG13 ' HB2' ' A' ' 40' ' ' PHE . 12.3 pt -114.26 15.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.115 -174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . -63.26 -6.62 14.85 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 116.014 -0.539 . . . . 62.33 114.211 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -91.01 -1.19 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.348 0.574 . . . . 72.04 110.578 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.8 m -92.46 120.39 32.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.026 0.441 . . . . 72.4 110.709 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.546 ' HB2' ' HE ' ' A' ' 49' ' ' ARG . 13.3 m-20 -85.08 164.35 18.26 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.528 -0.545 . . . . 70.15 109.528 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.8 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 16.4 tt -73.11 -20.1 18.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.549 . . . . 75.34 110.293 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HE ' ' HB2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -76.68 -9.35 58.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 63.32 110.565 176.232 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -143.06 70.08 1.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.509 0.671 . . . . 71.22 109.682 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 52' ' ' LYS . 5.3 tt -82.51 143.89 30.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.416 -0.811 . . . . 73.14 109.538 -178.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 51' ' ' LEU . 97.0 mttt -106.88 176.68 5.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.188 -0.46 . . . . 65.0 111.829 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.777 HG22 ' H ' ' A' ' 54' ' ' SER . 1.7 m -82.32 -163.57 0.7 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.999 -0.546 . . . . 70.22 110.504 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.777 ' H ' HG22 ' A' ' 53' ' ' THR . 2.7 p -64.03 4.79 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.299 1.222 . . . . 75.01 114.299 -171.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.22 -28.7 62.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.316 0.579 . . . . 61.52 109.454 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.761 ' HB2' HD13 ' A' ' 43' ' ' ILE . 3.7 pp -70.74 -16.26 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.385 -0.825 . . . . 74.12 111.248 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 56' ' ' LEU . 61.8 tp -80.53 -20.89 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.677 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.57 -51.43 81.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.081 -0.509 . . . . 71.32 112.269 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 34.4 Cg_exo -60.34 -28.39 86.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.936 1.757 . . . . 72.24 112.951 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.533 ' O ' HG12 ' A' ' 63' ' ' VAL . 45.4 mm -72.34 -23.72 21.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.441 0.639 . . . . 71.2 110.144 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 12.1 mmtt -62.83 -24.79 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.591 -0.731 . . . . 65.33 111.192 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.68 -44.75 73.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.918 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.8 p -77.01 -30.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 61.24 110.557 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.8 t70 -60.99 -49.02 79.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 73.25 109.955 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -74.09 -16.81 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 73.22 110.963 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 t -82.1 8.26 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 72.33 110.585 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . 97.98 5.69 57.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.806 -0.711 . . . . 72.23 112.853 174.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.72 ' HB3' HG12 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -120.8 69.04 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.274 0.559 . . . . 65.04 110.389 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -73.96 -23.98 59.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.731 -0.668 . . . . 74.14 110.993 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 5.5 m-20 -69.9 -50.9 37.78 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.57 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.72 HG12 ' HB3' ' A' ' 68' ' ' LYS . 11.7 p -62.85 -33.71 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 54.03 110.686 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.72 85.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.399 . . . . 64.22 110.689 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.523 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.0 mm-40 -72.08 -45.33 61.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.987 -0.551 . . . . 55.24 110.528 176.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 15.0 mmt180 -57.45 -36.02 70.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.901 -0.59 . . . . 72.22 111.156 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.7 mt -67.03 -55.39 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.545 -0.298 . . . . 71.34 110.854 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 11.0 pt20 -63.84 -43.95 94.65 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.993 0.368 . . . . 72.14 111.993 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -68.62 -33.61 74.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.897 0.332 . . . . 71.41 111.897 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 82' ' ' ILE . 85.0 mtm180 -71.21 -21.51 62.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.841 -0.344 . . . . 74.24 111.058 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 75' ' ' LEU . 99.4 t -61.22 -33.2 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.533 -0.303 . . . . 35.52 110.602 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 53.0 p -64.06 -38.17 90.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.661 -0.245 . . . . 52.15 110.718 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.75 76.32 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.135 0.493 . . . . 54.3 110.228 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.913 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 76.9 mt -58.96 -51.21 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.341 176.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.574 ' HE2' ' O ' ' A' ' 94' ' ' SER . 21.0 ttt -71.04 -27.01 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.939 -1.028 . . . . 74.34 111.288 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -58.34 -41.15 84.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 64.24 110.845 -175.305 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CZ ' ' HG2' ' A' ' 15' ' ' GLU . 59.0 t80 -64.59 -33.3 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.418 . . . . 72.24 110.684 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -73.34 -39.32 65.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.227 0.537 . . . . 74.04 110.491 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.5 -38.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 45.12 110.357 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.7 -40.52 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.982 -0.554 . . . . 74.12 110.717 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -85.97 5.25 34.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.378 . . . . 61.42 110.882 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.23 35.93 25.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.292 -0.867 . . . . 73.11 111.789 174.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 47.5 m-85 -64.54 -35.27 80.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 72.41 110.775 177.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.92 -34.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.25 0.463 . . . . 63.41 112.25 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.13 50.91 12.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.866 0.841 . . . . 74.11 110.709 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.574 ' O ' ' HE2' ' A' ' 83' ' ' MET . 40.2 m -153.79 149.34 27.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.311 -0.859 . . . . 71.21 109.7 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.6 85.79 16.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.614 0.245 . . . . 73.55 111.528 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HD2' ' HE1' ' A' ' 83' ' ' MET . 4.3 Cg_exo -80.66 -9.84 13.27 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.94 2.427 . . . . 73.13 111.906 173.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HA ' ' CG ' ' A' ' 100' ' ' MET . . . -98.44 22.6 9.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 72.1 110.471 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 t -86.15 -51.57 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 62.44 110.748 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.9 -31.9 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.649 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.733 ' HB3' ' HB3' ' A' ' 54' ' ' SER . 4.3 ppp? -66.34 -27.02 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 74.54 111.704 -176.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.913 0.387 . . . . 64.44 110.251 178.374 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 p90 . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 109.398 -0.593 . . . . 74.14 109.398 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.51 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 6.5 m -47.94 132.13 15.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.873 -1.058 . . . . 61.23 112.411 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -55.7 -37.94 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.519 -0.764 . . . . 72.14 111.207 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.496 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -65.48 -44.96 85.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 73.24 110.237 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.51 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 4.9 m -59.87 -43.89 94.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 42.34 110.49 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.84 -38.23 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 74.41 110.788 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -63.38 -29.13 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 65.35 111.206 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -74.22 -37.1 63.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 75.03 110.898 177.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -55.25 -57.25 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.41 111.813 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 59.3 p-90 -75.28 -28.54 59.8 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.767 -0.373 . . . . 63.43 111.062 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -67.95 -41.94 81.72 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.639 0.237 . . . . 65.33 111.639 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.46 -3.84 9.63 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.935 0.346 . . . . 64.52 111.935 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -62.01 -26.18 68.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -122.89 103.96 8.95 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.396 -0.82 . . . . 72.12 109.809 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 tptt 72.62 110.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.919 0.762 . . . . 72.12 111.252 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -151.3 -37.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.697 -0.401 . . . . 70.22 111.711 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -63.91 -20.95 66.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.393 0.516 . . . . 61.42 112.393 -172.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -81.99 71.19 9.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.994 -0.743 . . . . 62.53 108.994 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.25 -25.19 68.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.799 -1.092 . . . . 70.42 111.922 -173.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.88 -42.83 62.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 60.12 110.455 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -75.88 -26.0 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 71.54 111.418 -177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HG22 ' A' ' 31' ' ' VAL . 25.8 ttt85 -51.73 -36.69 47.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.159 0.429 . . . . 54.44 112.159 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m -61.14 -39.9 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.336 0.588 . . . . 72.34 110.664 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -80.78 -34.5 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.8 -0.636 . . . . 73.53 110.961 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 28' ' ' ARG . 17.2 m -74.21 -15.57 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 72.4 110.273 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.45 -54.18 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.361 -0.607 . . . . 73.35 109.361 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -71.4 -31.17 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.013 0.435 . . . . 74.24 110.4 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HB3' ' HA ' ' A' ' 31' ' ' VAL . 26.1 t80 -61.11 -29.34 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.502 0.668 . . . . 74.42 110.143 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.616 HD22 ' HB ' ' A' ' 39' ' ' ILE . 3.3 tm? -60.02 -47.47 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.043 -0.98 . . . . 74.34 110.579 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 42.7 mt-10 -75.63 -29.99 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.869 -176.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.08 -18.6 36.39 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.536 0.569 . . . . 44.12 112.536 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -126.8 -59.23 1.28 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.466 0.543 . . . . 62.22 112.466 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.616 ' HB ' HD22 ' A' ' 35' ' ' LEU . 38.4 mm -67.95 -53.94 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.503 -0.317 . . . . 72.43 111.638 -170.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HD2' HD11 ' A' ' 35' ' ' LEU . 43.6 m-85 -124.43 74.9 61.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 120.87 -0.332 . . . . 65.41 110.45 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 43.6 Cg_endo -72.2 -55.46 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.104 1.869 . . . . 72.43 112.688 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -104.53 -15.47 15.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.871 0.323 . . . . 74.14 111.871 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -104.36 12.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.823 0.305 . . . . 74.04 111.823 -174.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.14 7.46 44.54 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.909 -0.663 . . . . 34.51 112.806 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -99.99 -3.24 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.84 0.352 . . . . 74.13 110.813 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -91.18 132.79 35.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.042 0.448 . . . . 71.33 111.37 -176.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -79.74 152.52 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.755 -0.831 . . . . 71.03 108.755 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.83 -29.05 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.782 0.325 . . . . 61.54 111.551 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 5.4 ppt_? -83.75 2.37 38.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.815 0.341 . . . . 70.54 111.194 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -141.02 74.27 1.45 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.703 0.763 . . . . 65.32 110.425 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.78 161.81 13.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.05 -0.977 . . . . 71.3 109.964 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.9 161.05 16.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.351 -0.386 . . . . 75.42 110.45 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -163.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 61.4 109.927 174.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.541 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 4.3 m -48.83 -14.7 0.07 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.303 0.853 . . . . 72.22 113.303 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.59 -30.78 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.551 0.215 . . . . 64.52 111.065 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.978 HD21 ' HE3' ' A' ' 100' ' ' MET . 1.1 pt? -69.73 -15.96 63.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 71.32 110.647 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -77.37 -17.49 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 72.45 110.612 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -61.55 -50.61 81.8 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.564 -0.289 . . . . 73.11 111.525 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 31.9 Cg_exo -63.46 -33.59 68.34 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.846 1.697 . . . . 72.31 112.762 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.35 -23.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 75.04 110.69 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -63.86 -24.05 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 60.43 111.26 -173.738 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -55.86 -32.27 63.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.343 -0.614 . . . . 64.44 109.343 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.21 -33.49 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.753 -0.658 . . . . 72.31 111.637 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.526 ' HB2' ' CB ' ' A' ' 69' ' ' HIS . 1.7 p30 -66.41 -34.96 79.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.066 -0.653 . . . . 61.31 110.394 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -82.04 -34.27 29.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.658 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.1 m -99.48 -41.29 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.293 0.479 . . . . 75.45 112.293 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.499 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . -114.99 43.31 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.961 -0.638 . . . . 75.32 112.868 -174.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HE3' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER 66.77 110.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.71 0.767 . . . . 71.24 112.534 176.457 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . 15.7 p80 -62.61 -24.71 67.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 64.35 110.472 176.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.2 -45.57 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.998 -0.546 . . . . 75.13 110.127 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.82 -45.83 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 50.31 110.371 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.98 89.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.824 -0.626 . . . . 54.4 111.978 -176.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.0 mm-40 -64.73 -49.06 72.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.814 0.34 . . . . 74.43 110.67 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.92 -31.47 70.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.174 0.511 . . . . 61.21 110.239 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 39' ' ' ILE . 5.1 tt -70.24 -51.83 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.663 -0.699 . . . . 73.32 110.505 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.481 HE21 ' HB2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -65.21 -34.25 77.93 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.761 0.282 . . . . 71.32 111.761 -176.683 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.06 -27.04 65.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.177 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -26.01 61.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 71.15 110.678 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.0 -32.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.514 -0.551 . . . . 74.33 109.514 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 97' ' ' ALA . 40.7 m -61.68 -32.77 72.98 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.56 -0.746 . . . . 71.45 110.419 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.38 62.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.608 . . . . 71.24 110.573 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.442 HG12 ' NE1' ' A' ' 16' ' ' TRP . 50.9 mt -63.76 -41.04 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 62.13 110.154 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -62.65 -34.53 77.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.642 . . . . 74.33 111.135 179.047 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.67 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.256 -0.646 . . . . 74.11 109.256 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.35 -41.82 98.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.649 . . . . 74.3 110.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.655 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -62.88 -36.08 82.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 51.41 111.905 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 83' ' ' MET . 72.7 t -72.1 -44.95 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.571 0.224 . . . . 75.41 110.923 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -66.43 -34.92 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 64.31 111.059 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -89.37 10.56 22.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.448 -0.342 . . . . 74.02 110.724 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.97 59.1 4.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.478 -0.783 . . . . 61.51 112.795 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.655 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 48.6 m-85 -99.12 -42.35 7.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.029 -0.532 . . . . 71.44 109.657 171.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.9 pt -121.86 152.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 72.32 111.071 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.04 -29.5 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.316 0.579 . . . . 43.13 110.105 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.655 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 39.2 m -96.61 146.27 24.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.438 -0.801 . . . . 61.03 109.886 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.04 86.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.528 -0.305 . . . . 73.01 110.297 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.655 ' HD3' ' O ' ' A' ' 94' ' ' SER . 20.8 Cg_exo -65.27 -52.53 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.61 2.207 . . . . 73.21 111.725 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 80' ' ' THR . . . -85.26 67.65 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.989 -0.551 . . . . 71.44 110.275 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.7 t -98.12 -66.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.076 -0.712 . . . . 73.15 109.076 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -126.31 86.1 2.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.839 -0.801 . . . . 74.41 108.839 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.978 ' HE3' HD21 ' A' ' 56' ' ' LEU . 22.0 ptm -100.47 19.79 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.366 -0.833 . . . . 73.4 111.555 -171.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 120.97 0.414 . . . . 63.35 111.277 -177.402 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 111.947 0.351 . . . . 71.11 111.947 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -94.64 177.7 5.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.767 0.318 . . . . 75.54 111.293 -177.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -34.95 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.052 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -38.5 86.8 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.894 -0.594 . . . . 62.02 109.936 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 m -58.35 -36.1 72.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.91 -0.587 . . . . 74.34 111.149 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.72 -47.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.452 . . . . 74.33 110.571 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.585 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -71.29 -28.88 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 54.33 110.831 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -62.65 -39.66 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 65.31 110.366 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.67 -59.42 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.967 . . . . 75.1 112.213 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.627 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 56.2 p-90 -79.62 -32.48 41.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.428 0.529 . . . . 73.02 112.428 -171.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.19 -34.96 75.71 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.326 -0.55 . . . . 64.24 111.478 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -78.44 -12.13 59.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.979 0.419 . . . . 62.34 110.837 -175.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 p -110.61 14.61 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.269 0.557 . . . . 70.13 110.034 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.401 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 6.0 t-20 -93.87 -153.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.653 -0.703 . . . . 72.52 109.875 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 20' ' ' ASN . 7.0 tmtm? -44.78 -57.69 3.56 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.541 0.736 . . . . 73.24 112.508 -173.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -147.32 143.76 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.343 -0.543 . . . . 74.43 111.705 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -55.81 137.37 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.083 -0.962 . . . . 73.4 110.483 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 m -133.78 16.05 3.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.608 -0.269 . . . . 63.54 110.978 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 8.4 pt-20 -46.42 -41.35 13.62 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.272 0.841 . . . . 65.53 113.272 -172.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 21.3 t70 -72.73 -51.89 17.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 71.21 111.12 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -70.93 -26.28 63.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.752 -0.658 . . . . 72.01 111.404 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -54.06 -34.9 61.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.243 -0.889 . . . . 73.24 111.282 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -60.55 -35.17 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.071 0.462 . . . . 71.31 111.112 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -74.09 -42.2 60.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 72.14 109.876 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 35' ' ' LEU . 47.5 t -64.93 -38.49 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.256 -0.884 . . . . 74.14 110.624 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.16 -50.04 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 64.42 110.222 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 33' ' ' ARG . 17.0 ttt85 -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.016 -0.538 . . . . 71.51 110.217 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.17 -50.35 72.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.724 -0.671 . . . . 73.01 110.812 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.549 HD23 HG12 ' A' ' 31' ' ' VAL . 4.3 pp -73.16 -36.4 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.022 0.378 . . . . 73.55 112.022 -173.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 79.4 mt-10 -71.49 -30.11 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 73.21 111.497 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 33' ' ' ARG . 8.7 mp -78.35 -46.3 20.38 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.178 -0.209 . . . . 64.12 111.515 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.68 -43.54 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.679 0.622 . . . . 64.53 112.679 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.612 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 41.9 mm -91.47 -22.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.676 0.274 . . . . 71.14 111.591 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.581 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 97.3 m-85 -120.35 57.94 5.65 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.487 0.551 . . . . 63.44 112.487 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.612 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 6.1 Cg_exo -79.22 -51.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.238 1.959 . . . . 72.51 111.372 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -103.21 -33.84 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 56' ' ' LEU . 38.5 pt -90.32 13.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.01 0.374 . . . . 72.11 112.01 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.8 -7.04 68.83 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.113 -0.565 . . . . 62.43 112.749 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -99.13 15.0 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.752 0.31 . . . . 73.02 110.732 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.7 m -88.32 135.17 33.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 63.41 111.228 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' OD2' ' HD3' ' A' ' 49' ' ' ARG . 17.3 t70 -88.09 155.82 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.71 -0.677 . . . . 75.15 109.597 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.8 tp -64.61 -21.66 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.975 0.417 . . . . 74.4 111.702 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HA ' ' CG2' ' A' ' 92' ' ' ILE . 7.2 mtp-105 -83.22 -0.6 50.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.574 -0.285 . . . . 70.43 111.64 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -148.91 75.98 1.32 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.745 0.783 . . . . 73.23 110.816 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HB2' ' HG2' ' A' ' 96' ' ' PRO . 2.9 mm? -87.03 161.76 17.99 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.863 -1.062 . . . . 75.24 109.06 172.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.86 ' HB2' HD23 ' A' ' 56' ' ' LEU . 12.6 mptt -115.95 176.05 5.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.291 0.567 . . . . 72.54 111.655 -173.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.7 p -85.4 -163.52 0.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.278 -0.873 . . . . 74.45 111.628 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.424 ' H ' ' HB ' ' A' ' 53' ' ' THR . 3.0 m -54.3 -18.44 4.0 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.977 1.102 . . . . 54.43 113.977 -173.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -65.33 -26.05 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.398 . . . . 73.32 111.142 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.86 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.4 pp -72.75 -16.77 61.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.923 0.392 . . . . 60.41 110.907 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -86.92 -16.93 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 60.33 110.647 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -51.45 -50.52 76.08 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.799 -0.637 . . . . 62.21 112.488 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.0 Cg_exo -58.18 -38.05 92.87 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.869 1.713 . . . . 65.04 112.681 178.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.525 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.7 mp -67.71 -24.09 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.068 0.461 . . . . 73.13 110.93 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 8.6 tmtt? -57.98 -26.1 61.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 73.34 111.555 -174.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.079 0.399 . . . . 71.41 112.079 -176.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.0 p -74.33 -31.75 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 74.32 110.451 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -66.19 -45.12 81.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.825 -0.625 . . . . 51.1 109.743 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 m -68.0 -26.6 65.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 41.31 110.94 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -72.16 -3.91 26.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.786 0.327 . . . . 70.34 111.022 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.09 -14.4 26.12 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.828 -0.701 . . . . 51.45 112.604 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.934 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -95.21 77.41 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.557 0.694 . . . . 75.31 110.635 -177.478 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -72.9 -33.83 66.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.748 -1.114 . . . . 71.43 110.231 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 16.4 t70 -56.51 -53.44 57.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.217 -0.902 . . . . 74.43 111.917 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.12 -34.49 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.474 -0.33 . . . . 44.22 111.739 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -67.07 -50.54 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 65.12 110.079 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.99 -45.89 86.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.32 -0.855 . . . . 73.34 110.836 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 69.8 mtp180 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 64.15 111.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.5 mm? -71.96 -39.2 69.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.978 0.362 . . . . 62.21 111.978 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 15.2 pt20 -67.0 -38.14 85.47 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.61 -0.436 . . . . 74.2 110.658 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 6.3 tp60 -73.07 -20.72 60.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.438 0.637 . . . . 73.44 110.558 175.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.3 tpt180 -72.44 -42.31 65.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 73.31 110.209 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 75' ' ' LEU . 61.3 t -61.94 -43.53 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.804 -0.634 . . . . 75.44 111.193 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.8 p -61.52 -36.25 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 64.52 111.021 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.9 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.948 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.627 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 69.2 mt -66.74 -42.43 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 64.24 110.439 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.522 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -60.21 -35.3 75.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 72.24 110.506 179.466 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -57.27 -41.53 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 71.32 111.114 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.547 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 64.7 m-85 -69.61 -29.94 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 75.52 111.328 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.51 61.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.132 0.491 . . . . 74.22 110.445 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 83' ' ' MET . 58.8 t -86.03 -34.65 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 72.04 111.264 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 85' ' ' TYR . 9.2 pt20 -59.54 -38.9 82.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.884 0.373 . . . . 73.43 111.056 -178.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 83.9 m-20 -88.8 -2.83 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 61.42 110.62 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 57.99 79.2 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.614 0.721 . . . . 72.14 111.266 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' A' ' 89' ' ' ASN . 63.6 m-85 -106.66 -28.87 9.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.721 . . . . 73.11 110.233 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 49' ' ' ARG . 23.5 pt -133.61 144.23 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.705 -0.679 . . . . 73.14 110.32 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -89.75 -12.15 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 73.45 110.168 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 m -87.06 145.21 26.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 74.44 109.6 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -118.82 86.28 30.1 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.927 0.394 . . . . 61.04 110.147 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 51' ' ' LEU . 6.0 Cg_exo -77.47 -164.59 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.754 2.303 . . . . 52.52 111.078 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.762 ' HA ' ' SD ' ' A' ' 100' ' ' MET . . . 57.56 24.19 10.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.038 0.447 . . . . 74.43 111.371 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 m -97.45 143.59 28.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 73.23 110.253 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.38 20.86 11.87 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.924 0.765 . . . . 55.01 110.662 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.762 ' SD ' ' HA ' ' A' ' 97' ' ' ALA . 81.2 mtp -97.43 -44.49 6.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.771 -0.65 . . . . 74.35 109.405 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.597 -0.729 . . . . 64.42 109.921 177.179 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.207 0.527 . . . . 74.41 110.817 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -65.58 153.14 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 33.1 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.636 ' HZ ' HD13 ' A' ' 82' ' ' ILE . 30.2 t80 -51.85 -39.38 58.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.934 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.671 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 6.6 mm-40 -51.91 -40.85 61.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.245 -0.889 . . . . 71.14 112.096 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -57.66 -49.83 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.403 . . . . 73.2 111.551 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.47 HD12 HD13 ' A' ' 48' ' ' ILE . 58.9 mt -75.64 -31.56 23.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 62.53 110.76 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.33 82.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 62.12 111.472 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.671 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 9.5 mpt_? -68.32 -26.35 65.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.393 -0.367 . . . . 74.2 111.706 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.66 -56.2 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.276 0.36 . . . . 74.23 110.677 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.433 ' CZ2' HG12 ' A' ' 82' ' ' ILE . 64.7 p-90 -82.13 -36.42 27.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.244 0.461 . . . . 72.02 112.244 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -63.68 -27.73 69.42 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.109 0.781 . . . . 54.42 113.109 -172.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 57.8 mt-10 -76.18 5.1 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.46 -0.496 . . . . 72.43 111.913 -177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -90.08 6.82 40.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.43 0.633 . . . . 64.22 109.597 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.12 25.15 1.66 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 74.52 110.439 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 70.37 -168.01 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.76 -0.654 . . . . 74.34 112.195 175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 71.35 104.37 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.325 -0.852 . . . . 74.32 110.228 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -68.2 -27.72 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 74.34 112.137 -174.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -76.23 107.39 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.024 -0.361 . . . . 44.23 110.024 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.708 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 mp0 -62.39 -27.44 69.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.547 . . . . 64.14 110.726 -174.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -51.17 -30.54 17.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.487 -0.779 . . . . 42.25 112.795 -170.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -27.28 61.91 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.322 0.489 . . . . 74.03 112.322 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -64.97 -23.5 67.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.677 0.251 . . . . 73.11 111.677 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 38.1 m -77.32 -37.23 52.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.029 0.442 . . . . 51.12 110.693 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -80.26 -38.94 29.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.111 0.411 . . . . 63.53 112.111 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 28' ' ' ARG . 35.0 m -63.18 -16.99 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 121.0 -0.28 . . . . 73.43 111.122 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' OE2' ' A' ' 10' ' ' GLU . 7.4 tt -57.4 -39.76 76.8 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.117 0.484 . . . . 71.15 109.888 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -59.32 -39.94 84.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 73.13 110.409 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -83.27 -38.77 21.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 72.44 110.081 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HG ' ' CG1' ' A' ' 39' ' ' ILE . 10.4 tt -60.29 -35.91 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.856 -0.611 . . . . 64.35 111.072 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -33.31 50.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.895 -0.593 . . . . 73.22 110.9 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.43 -27.04 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 75.1 111.438 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.92 -40.35 47.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.975 -0.557 . . . . 73.25 111.682 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.41 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 49.5 mm -95.89 -35.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.957 0.408 . . . . 65.02 110.588 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -119.8 82.49 27.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.403 -0.362 . . . . 72.24 110.596 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.63 -60.12 0.08 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 121.278 1.318 . . . . 41.25 111.574 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -109.2 -17.54 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.413 . . . . 45.31 111.002 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 56' ' ' LEU . 38.4 pt -88.59 14.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.612 0.597 . . . . 43.33 112.612 -169.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.31 5.45 9.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.889 -0.672 . . . . 42.44 113.316 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 p -106.18 5.92 30.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.076 0.438 . . . . 54.25 111.247 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -97.53 145.01 26.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.004 0.431 . . . . 65.33 110.932 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 149.28 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.57 . . . . 72.11 111.094 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.521 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 13.9 tt -77.52 -23.83 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.389 0.614 . . . . 71.31 110.152 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -78.25 -3.5 43.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 60.34 110.731 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -162.38 82.66 0.54 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.317 -0.624 . . . . 72.35 109.317 172.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.526 ' H ' HG22 ' A' ' 92' ' ' ILE . 14.5 tp -95.28 161.72 13.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.093 -0.503 . . . . 60.43 110.38 -176.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -111.46 174.88 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.001 -0.545 . . . . 74.2 111.966 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.478 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.0 OUTLIER -74.26 -162.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.387 -0.824 . . . . 53.24 112.56 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.478 ' H ' ' HB ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -68.06 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.274 1.212 . . . . 71.23 114.274 -170.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -67.23 -28.69 68.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 72.52 108.709 173.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 3.2 pp -68.18 -14.42 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.843 -1.071 . . . . 73.14 111.886 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.85 -27.9 65.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 -0.242 . . . . 75.42 111.613 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.1 -54.14 53.65 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.138 0.421 . . . . 72.11 112.138 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -61.43 -32.6 88.94 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.062 1.842 . . . . 72.42 112.835 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mm -71.05 -32.03 46.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 72.33 109.951 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.571 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.79 -25.21 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.729 -0.669 . . . . 73.23 110.012 -176.823 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.08 -28.49 62.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.337 -0.847 . . . . 73.41 110.042 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.55 -36.42 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.733 -0.667 . . . . 73.44 111.646 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.94 -36.83 72.76 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.495 -0.482 . . . . 62.14 110.978 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 m -82.28 -44.45 16.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.207 -0.452 . . . . 64.34 112.117 -175.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.7 m -107.14 7.2 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.205 0.446 . . . . 34.41 112.205 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -138.89 4.0 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.783 -0.722 . . . . 53.13 111.777 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HB2' HG12 ' A' ' 71' ' ' VAL . 46.3 mtpt -90.51 113.26 25.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.829 0.347 . . . . 62.13 110.328 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -59.6 -33.31 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.829 -0.623 . . . . 75.43 112.668 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.82 -44.18 42.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.86 0.362 . . . . 61.41 111.27 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.648 HG12 ' HB2' ' A' ' 68' ' ' LYS . 8.4 p -65.41 -32.75 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.715 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.96 90.9 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.594 -0.275 . . . . 53.11 111.274 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -62.42 -44.13 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.404 0.621 . . . . 74.44 110.877 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 38.5 mtp180 -65.22 -32.29 73.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.431 -0.804 . . . . 73.4 110.624 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 3.0 tm? -69.37 -51.48 36.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.053 -0.521 . . . . 73.32 110.76 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 3.4 pt20 -63.88 -39.03 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 74.31 111.471 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -59.83 -28.93 67.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.199 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.559 ' O ' HG13 ' A' ' 82' ' ' ILE . 61.3 mtt180 -61.31 -36.04 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.211 -0.45 . . . . 75.25 111.046 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.62 -41.74 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.111 0.482 . . . . 65.44 110.598 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 m -65.28 -30.45 71.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 73.13 110.648 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 84' ' ' ARG . . . -74.15 -24.73 59.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 53.22 111.081 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.636 HD13 ' HZ ' ' A' ' 9' ' ' PHE . 67.4 mt -75.18 -36.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 73.33 110.6 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.517 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 24.8 mmt -57.72 -39.46 77.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.489 -0.778 . . . . 70.33 112.821 -173.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 16.6 ptm180 -57.64 -39.72 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.542 0.21 . . . . 72.01 111.42 -177.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -77.62 -30.45 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 74.11 110.773 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.79 73.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.955 0.407 . . . . 73.43 110.505 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.881 HG21 HD22 ' A' ' 95' ' ' ASN . 63.3 t -69.92 -14.82 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.902 -0.59 . . . . 74.32 111.547 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 14.7 mm100 -54.26 -40.53 67.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.853 0.359 . . . . 75.23 110.656 175.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.405 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 72.3 m-20 -105.23 -16.73 14.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.021 -0.733 . . . . 73.12 109.021 171.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.564 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 44.9 t0 57.9 90.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.489 -1.232 . . . . 63.22 112.415 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 89' ' ' ASN . 79.0 m-85 -101.93 -10.41 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 52.14 110.072 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -99.88 -33.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.958 -0.564 . . . . 63.22 111.929 -173.422 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 63.3 26.69 15.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.401 0.619 . . . . 75.12 111.133 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -152.51 -14.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.709 0.633 . . . . 75.55 112.709 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.881 HD22 HG21 ' A' ' 87' ' ' VAL . 16.1 t-20 47.64 76.6 0.53 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.575 0.35 . . . . 71.41 111.297 -171.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.745 ' HD3' HG13 ' A' ' 92' ' ' ILE . 2.9 Cg_exo -76.51 -171.23 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.795 2.33 . . . . 61.2 112.002 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 64.94 3.18 2.0 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.67 -0.696 . . . . 62.43 111.478 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.6 p -77.31 -64.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.437 -0.579 . . . . 62.01 109.437 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.46 79.58 8.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.614 -0.884 . . . . 71.23 108.614 172.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -155.72 -52.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 71.31 108.963 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 71.41 108.949 174.278 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.868 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 21.6 p90 . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 122.198 0.999 . . . . 70.55 109.387 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -139.56 151.23 45.92 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.859 -1.064 . . . . 73.1 109.871 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -55.11 -42.39 72.88 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.377 0.423 . . . . 62.15 110.24 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.38 -38.6 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.815 -0.629 . . . . 75.14 111.451 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -63.07 -43.63 98.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.139 0.495 . . . . 72.05 110.585 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.96 -43.49 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.657 . . . . 73.11 110.438 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.95 -33.86 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.789 -0.641 . . . . 74.14 110.949 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -34.23 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 72.2 110.752 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.27 -59.02 5.97 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.088 -0.506 . . . . 62.04 111.527 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 50.5 p-90 -79.25 -24.39 43.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.728 -0.389 . . . . 71.54 110.843 -176.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.71 -31.03 69.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.503 -0.317 . . . . 71.41 111.166 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.16 -21.61 63.05 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.649 0.261 . . . . 74.1 111.046 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -60.92 -34.06 74.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.613 -0.267 . . . . 73.41 110.45 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 59.14 -162.12 0.25 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.856 0.687 . . . . 72.12 112.856 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HB3' ' H ' ' A' ' 22' ' ' ARG . 9.6 tptp -145.44 -85.74 0.12 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.497 -0.774 . . . . 75.22 109.399 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 14.3 ttt-85 -106.51 178.89 4.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.25 -1.341 . . . . 72.31 108.784 174.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.404 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 5.5 m-90 -75.62 107.67 7.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.009 0.433 . . . . 75.14 111.434 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.434 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 70.7 m -157.01 33.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.209 -0.663 . . . . 72.32 109.209 175.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 3.6 tp10 -53.37 -49.67 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 74.31 112.696 -170.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.36 -31.05 68.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.114 0.483 . . . . 72.44 110.238 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -75.54 -24.12 56.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.281 -0.872 . . . . 64.31 111.12 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 1.4 mpt_? -49.52 -32.6 12.7 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.024 0.75 . . . . 74.52 113.024 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -61.85 -44.24 97.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 64.53 110.503 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -61.32 -38.69 87.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.057 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.67 -39.09 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.55 -0.75 . . . . 72.11 110.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.76 -40.72 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.956 -0.566 . . . . 71.34 109.682 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.5 mtt180 -65.98 -43.91 86.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.601 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.43 -40.56 87.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 62.34 110.606 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.828 ' HA ' HD13 ' A' ' 39' ' ' ILE . 3.4 tt -61.64 -42.13 98.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.775 -0.648 . . . . 54.32 109.645 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 4.3 tm-20 -65.98 -37.65 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.615 . . . . 74.21 110.371 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 33' ' ' ARG . 92.9 mt -71.71 -48.49 46.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.509 0.559 . . . . 73.22 112.509 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -98.87 -38.4 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.581 . . . . 65.14 112.57 -171.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.828 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.9 mp -83.73 -30.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 72.53 110.259 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.542 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 31.0 m-85 -116.77 56.38 1.57 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.596 174.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.81 -57.14 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.339 1.359 . . . . 73.24 112.661 -169.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -106.18 -22.64 12.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.488 -0.324 . . . . 70.42 111.057 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' HB ' HD11 ' A' ' 56' ' ' LEU . 2.6 pp -107.39 14.65 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.068 0.766 . . . . 74.44 113.068 -167.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -73.04 5.88 16.43 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.004 -0.617 . . . . 71.15 113.208 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 p -82.21 -11.31 58.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 65.51 111.347 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.5 m -92.63 132.55 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.211 0.529 . . . . 61.44 111.885 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.94 165.87 11.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 73.2 109.227 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD23 ' A' ' 51' ' ' LEU . 10.4 tp -60.76 -28.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.709 0.262 . . . . 74.24 111.709 -176.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.868 ' HD3' ' HE2' ' A' ' 7' ' ' TYR . 34.1 ttp180 -70.48 -21.63 62.75 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.011 0.434 . . . . 75.21 110.588 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -133.15 74.7 1.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.419 0.628 . . . . 64.24 109.831 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -97.06 140.17 31.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.405 -0.816 . . . . 74.21 110.053 -176.673 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.23 173.17 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.075 0.464 . . . . 35.33 111.088 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.604 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -92.6 -162.48 0.94 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.718 -0.674 . . . . 55.31 109.836 -178.696 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.604 ' H ' HG22 ' A' ' 53' ' ' THR . 6.2 m -56.96 -7.8 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.992 0.738 . . . . 74.05 112.992 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -67.1 -27.65 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 62.41 109.568 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD11 ' HB ' ' A' ' 43' ' ' ILE . 17.6 tp -66.06 -20.31 66.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.016 -0.993 . . . . 44.32 110.76 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.495 HD12 ' HB ' ' A' ' 60' ' ' ILE . 68.5 tp -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 70.11 111.429 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.634 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -50.43 -52.4 55.4 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.922 0.712 . . . . 72.34 112.922 -176.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.2 Cg_exo -61.82 -38.98 55.58 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.875 1.716 . . . . 73.1 112.969 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.58 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.2 mp -72.39 -24.65 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.159 0.504 . . . . 63.03 110.298 -176.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -68.99 -24.42 64.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 64.31 109.602 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.95 -39.67 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 74.32 111.614 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 60' ' ' ILE . 8.3 p -71.49 -29.06 33.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.683 0.278 . . . . 51.22 110.688 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.54 -49.53 74.96 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.102 0.477 . . . . 63.42 109.793 175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -65.26 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 43.41 110.686 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -62.7 -40.36 96.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.169 -0.468 . . . . 64.33 110.53 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.62 -30.42 0.93 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.083 -1.056 . . . . 55.31 113.481 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.0 mtpt -96.42 82.72 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 61.45 111.282 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -73.8 -30.01 62.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.143 -0.935 . . . . 74.51 110.467 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 21.1 t70 -56.76 -47.68 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 73.32 111.695 -175.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' HD13 ' A' ' 75' ' ' LEU . 52.6 t -59.59 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.456 . . . . 53.5 110.91 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.06 -45.14 79.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.106 -0.497 . . . . 71.14 111.517 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -62.83 -46.65 86.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.055 -0.521 . . . . 64.21 111.268 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -60.28 -32.76 71.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 64.43 111.609 178.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 79' ' ' VAL . 6.7 mp -63.72 -47.68 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.736 -0.211 . . . . 72.51 111.193 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -56.28 -43.69 79.09 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.578 0.704 . . . . 75.0 109.977 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.55 -39.74 73.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.186 -1.37 . . . . 73.4 111.112 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.45 ' O ' HG13 ' A' ' 82' ' ' ILE . 64.5 mtt180 -82.46 -23.58 34.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 74.35 111.61 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 75' ' ' LEU . 86.4 t -66.35 -45.97 88.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 62.41 110.386 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 t -69.55 -29.96 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 73.4 110.019 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.26 -31.92 73.2 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.045 -0.525 . . . . 53.33 110.479 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 78' ' ' ARG . 85.7 mt -76.24 -44.78 36.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 41.31 110.359 173.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.657 ' HG3' HD11 ' A' ' 92' ' ' ILE . 47.6 ttm -60.13 -35.94 76.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 74.44 112.404 -175.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.15 -31.24 70.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.415 0.15 . . . . 74.34 111.33 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -69.19 -40.77 77.88 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.086 0.47 . . . . 72.24 110.19 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 73.45 110.505 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.62 -33.6 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.077 -0.511 . . . . 64.14 110.492 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -63.97 -43.68 95.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.733 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -87.11 6.03 34.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.519 -0.31 . . . . 71.33 111.197 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.36 35.85 14.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.485 0.66 . . . . 42.51 110.987 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -76.3 -45.59 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.3 -0.629 . . . . 75.32 109.3 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.657 HD11 ' HG3' ' A' ' 83' ' ' MET . 37.8 pt -130.55 148.82 33.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.521 -0.763 . . . . 71.14 109.952 177.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -112.88 -22.89 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.242 0.544 . . . . 74.11 110.186 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.464 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 18.7 m -92.11 138.25 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 71.15 110.537 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.412 ' HB3' ' OG ' ' A' ' 98' ' ' SER . 16.9 m120 -115.78 85.26 14.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.465 -0.334 . . . . 73.31 110.418 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 94' ' ' SER . 6.1 Cg_exo -79.0 -35.39 0.94 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.797 2.331 . . . . 41.44 112.878 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.07 -2.31 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.34 -0.391 . . . . 24.24 111.741 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.412 ' OG ' ' HB3' ' A' ' 95' ' ' ASN . 50.0 m -74.4 -10.0 59.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.38 . . . . 61.53 111.334 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -100.89 -4.14 28.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.049 0.452 . . . . 62.41 110.57 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.577 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 80.2 mtp -62.57 -39.19 92.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.972 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 64.14 111.039 179.483 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.24 -0.281 . . . . 73.42 110.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.18 -51.03 70.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.43 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -79.07 102.79 8.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.395 . . . . 74.23 109.998 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m -70.21 119.88 15.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 62.24 111.143 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.19 172.68 18.39 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.878 -0.677 . . . . 50.21 112.074 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.16 33.69 14.18 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.034 0.445 . . . . 62.55 110.96 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -88.91 5.62 43.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.525 0.678 . . . . 71.4 109.788 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 p -74.47 -179.31 3.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.069 -0.968 . . . . 62.3 112.902 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.693 ' HA ' HD12 ' A' ' 48' ' ' ILE . 14.0 t80 -57.74 -25.82 60.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.91 -1.041 . . . . 63.11 111.384 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.36 -54.91 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 62.41 111.774 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.6 m -73.08 -30.69 63.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.883 -0.599 . . . . 73.11 111.79 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.87 -34.31 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.996 0.427 . . . . 74.13 110.441 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB2' HD11 ' A' ' 82' ' ' ILE . . . -67.58 -31.9 72.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.222 0.534 . . . . 74.22 110.732 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.526 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 5.2 tmm_? -72.95 -34.6 66.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 72.2 110.056 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 55.5 mm-40 -56.58 -54.1 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.598 0.592 . . . . 74.13 112.598 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.796 ' HE1' HG12 ' A' ' 82' ' ' ILE . 38.1 p-90 -77.19 -24.99 51.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.34 -0.544 . . . . 75.13 111.073 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 25' ' ' GLU . 45.0 t60 -67.02 -34.03 76.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.48 0.548 . . . . 65.43 112.48 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.83 -10.58 54.1 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.101 0.408 . . . . 72.42 112.101 -172.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 -4.46 56.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.277 0.561 . . . . 74.34 109.831 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 63.07 92.87 0.06 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.733 -1.121 . . . . 64.35 111.345 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 3.0 tmtp? -104.58 -35.15 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.603 -0.726 . . . . 61.03 109.545 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HG2' ' H ' ' A' ' 23' ' ' TRP . 26.7 ttt180 -141.33 169.0 18.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.458 -0.571 . . . . 72.34 109.458 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.434 ' HE3' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -102.07 -172.13 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.426 0.454 . . . . 73.24 111.645 -172.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.434 ' HB2' ' HE3' ' A' ' 23' ' ' TRP . 12.6 t 71.95 22.88 3.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.485 -0.78 . . . . 74.23 110.731 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' A' ' 17' ' ' HIS . 10.4 pt-20 -69.45 -27.23 65.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.658 . . . . 73.12 111.519 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.9 -39.27 77.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.943 -0.571 . . . . 60.14 111.19 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.7 t-80 -76.13 -28.49 57.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.819 -0.628 . . . . 74.53 111.04 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 7.5 mmt180 -62.7 -23.6 67.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.422 -0.808 . . . . 73.02 112.245 -171.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -55.06 -47.63 74.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.721 0.296 . . . . 64.12 110.726 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -82.57 -42.08 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 70.52 110.855 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' HIS . 61.1 t -57.92 -22.25 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 115.875 -0.602 . . . . 73.21 111.775 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -50.56 -41.82 54.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 42.2 111.429 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.07 -48.78 79.1 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 74.4 111.298 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.99 -36.75 80.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 43.3 110.424 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.548 ' O ' HG22 ' A' ' 39' ' ' ILE . 1.9 tm? -67.12 -58.14 5.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.735 -0.666 . . . . 63.54 110.549 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 11.0 mm-40 -53.81 -39.54 65.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.94 0.4 . . . . 74.12 111.637 -175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.11 -38.91 89.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.069 -0.514 . . . . 73.15 111.578 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.67 -22.06 18.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 74.23 112.493 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 75' ' ' LEU . 8.2 tp -82.66 -30.72 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.466 -0.494 . . . . 54.32 110.28 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.425 ' CD2' HG23 ' A' ' 39' ' ' ILE . 8.6 m-85 -122.33 71.07 34.69 Favored Pre-proline 0 C--N 1.331 -0.209 0 N-CA-C 109.771 -0.455 . . . . 65.52 109.771 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.1 Cg_endo -81.6 -55.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.624 2.216 . . . . 60.41 112.231 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -101.91 -2.44 29.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.027 -0.533 . . . . 73.02 109.907 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.572 HG21 ' HB2' ' A' ' 56' ' ' LEU . 37.1 pt -121.68 13.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.713 -0.676 . . . . 71.43 111.328 -175.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.93 10.99 30.16 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.659 -0.781 . . . . 74.44 112.539 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -107.61 9.85 29.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.787 0.327 . . . . 65.14 111.186 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -116.67 157.29 25.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.809 0.338 . . . . 55.31 111.188 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.79 161.39 16.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 72.25 110.238 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 9' ' ' PHE . 9.4 tt -63.75 -26.66 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 74.42 111.158 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -87.12 7.69 26.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.39 -0.368 . . . . 73.01 111.117 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -141.3 71.91 1.37 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.806 0.813 . . . . 61.22 110.644 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.2 mm? -95.37 162.07 13.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.114 -0.948 . . . . 65.04 109.643 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -123.4 176.48 6.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.541 -0.3 . . . . 73.03 111.037 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.824 HG22 ' H ' ' A' ' 54' ' ' SER . 2.1 m -72.9 -165.14 0.2 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.727 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.824 ' H ' HG22 ' A' ' 53' ' ' THR . 13.9 m -70.46 15.88 0.09 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.232 0.827 . . . . 54.44 113.232 -171.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -73.88 -28.44 61.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.839 -0.8 . . . . 63.32 108.839 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.572 ' HB2' HG21 ' A' ' 43' ' ' ILE . 3.3 pp -71.39 -13.69 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.933 -1.031 . . . . 74.2 111.792 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 60' ' ' ILE . 59.8 tp -72.78 -17.52 61.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 71.12 111.204 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.85 -53.09 61.69 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.01 0.744 . . . . 74.25 113.01 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 25.0 Cg_endo -63.72 -28.21 68.56 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.744 1.629 . . . . 70.41 113.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' ' 63' ' ' VAL . 42.8 mm -71.33 -24.78 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.728 0.775 . . . . 60.42 109.45 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 7.0 tmtm? -70.18 -24.24 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.305 -0.861 . . . . 53.11 109.73 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.14 -48.33 80.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 70.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.6 p -71.74 -28.66 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.227 0.536 . . . . 71.44 110.274 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.802 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 2.9 t70 -57.24 -42.34 81.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 52.33 110.038 173.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 m -66.7 -24.86 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.508 -0.769 . . . . 62.02 111.824 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -72.15 -5.07 32.91 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.753 0.311 . . . . 75.51 111.626 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.62 -3.76 65.82 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.698 -0.763 . . . . 63.01 111.51 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.63 ' O ' HG22 ' A' ' 71' ' ' VAL . 9.6 mmpt? -98.88 26.21 5.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.125 -0.695 . . . . 75.12 109.125 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.802 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.1 p80 -51.15 -24.82 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.762 -1.108 . . . . 64.44 113.554 -171.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 17.1 t70 -64.86 -32.31 73.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.7 0.286 . . . . 70.32 110.979 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 68' ' ' LYS . 14.0 m -65.93 -32.78 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.557 -0.292 . . . . 54.34 110.922 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.47 82.2 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.951 0.405 . . . . 62.52 110.692 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.555 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.3 mm-40 -64.09 -44.1 93.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.746 -0.661 . . . . 41.3 110.719 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 20.8 mmt180 -60.96 -34.63 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 63.14 110.484 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.685 ' HB3' HD13 ' A' ' 39' ' ' ILE . 98.5 mt -73.51 -51.12 18.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 74.32 111.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.555 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 18.2 pt20 -58.66 -38.19 77.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 65.11 111.834 -175.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 27.4 mt-30 -53.28 -28.12 26.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 71.44 112.149 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.53 ' NH1' HD12 ' A' ' 35' ' ' LEU . 67.9 ttt180 -64.55 -53.89 40.84 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.935 -0.306 . . . . 74.41 110.827 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.52 ' HA ' ' HZ ' ' A' ' 9' ' ' PHE . 15.0 p -70.3 -35.46 62.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 121.004 -0.279 . . . . 72.11 110.802 -175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -64.18 -45.89 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.03 110.861 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.74 -50.01 54.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 64.31 111.176 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.796 HG12 ' HE1' ' A' ' 16' ' ' TRP . 61.9 mt -60.07 -40.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.356 . . . . 74.53 111.361 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.5 ttm -62.08 -29.06 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 73.32 110.95 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 27.0 mmt180 -68.73 -39.93 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.694 -0.23 . . . . 71.44 110.542 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -68.19 -34.21 75.85 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.627 -0.509 . . . . 74.41 109.627 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.657 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 75.14 111.191 177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 75.9 t -74.65 -34.4 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.238 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -70.82 -28.08 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 71.32 110.4 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -89.74 -5.78 56.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 75.13 110.314 173.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.382 -0.826 . . . . 45.11 112.892 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 86' ' ' ALA . 52.8 p90 -98.35 -2.08 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.979 -0.689 . . . . 72.5 111.521 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.7 pt -114.31 -18.73 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.474 -0.33 . . . . 65.42 110.311 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 t70 71.16 -57.39 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.361 -0.836 . . . . 74.43 112.254 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.9 t -92.94 178.43 5.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.778 0.323 . . . . 70.11 110.534 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 98' ' ' SER . 3.2 t-20 -124.75 86.58 55.79 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 116.324 -0.398 . . . . 72.3 110.047 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.94 -52.39 7.48 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.142 2.561 . . . . 72.54 113.007 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' A' ' 100' ' ' MET . . . -100.71 84.61 2.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 44.35 110.379 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.44 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 14.9 t -77.67 -23.34 49.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.314 -0.857 . . . . 70.23 110.313 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -123.66 -66.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.927 -0.579 . . . . 64.41 110.064 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.636 ' HB2' ' HB1' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 58.42 86.39 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.528 -0.76 . . . . 64.21 111.386 178.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.51 ' HB3' ' NE2' ' A' ' 76' ' ' GLN . . . 58.83 45.6 15.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.621 -0.718 . . . . 74.22 111.644 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.83 131.22 15.46 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.826 -0.624 . . . . 73.42 111.832 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.49 98.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.229 0.611 . . . . 50.23 111.062 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -80.41 -58.55 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.839 -0.619 . . . . 71.11 110.059 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 t -151.96 -73.05 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.982 0.42 . . . . 71.31 110.277 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.8 p -96.51 102.03 13.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.162 0.506 . . . . 70.43 111.507 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -77.72 139.23 39.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.627 -0.715 . . . . 55.1 111.006 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -168.85 1.92 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.893 -0.41 . . . . 73.54 109.893 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.56 7.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.394 -0.366 . . . . 72.45 111.445 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.522 ' HA ' HH11 ' A' ' 110' ' ' ARG . 0.9 OUTLIER 55.21 74.13 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.597 0.713 . . . . 75.14 110.138 -174.261 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -87.58 110.62 20.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.243 -0.889 . . . . 72.33 109.541 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.6 t80 62.5 83.7 0.2 Allowed Pre-proline 0 C--O 1.234 0.258 0 O-C-N 123.658 0.599 . . . . 74.12 110.07 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.37 155.06 51.19 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.68 2.254 . . . . 71.44 112.461 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 30.3 tp -114.77 -14.69 11.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.214 -0.903 . . . . 51.1 109.224 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.83 42.62 0.24 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.082 -0.963 . . . . 73.23 112.469 -174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -127.8 -6.09 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.261 -0.274 . . . . 71.23 111.662 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -146.56 122.3 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.48 . . . . 74.25 110.398 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -153.0 119.77 5.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.694 . . . . 63.12 109.858 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -161.77 107.9 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.433 0.635 . . . . 70.24 110.609 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -176.44 124.86 0.18 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.268 -0.878 . . . . 62.31 108.974 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.402 -0.809 . . . . 64.42 110.157 -178.58 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 25.7 ttt . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.33 0.586 . . . . 71.31 109.688 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 25' ' ' GLU . 1.2 mp0 -82.03 -16.79 48.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.876 -0.602 . . . . 73.52 110.63 -175.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -86.11 86.5 7.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.389 -0.597 . . . . 70.23 109.389 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.8 m -130.02 120.2 24.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.677 -0.692 . . . . 70.25 110.222 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.01 84.7 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.052 -0.594 . . . . 55.34 112.013 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.77 9.59 29.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.803 0.335 . . . . 62.33 110.488 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 61.75 21.53 12.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.732 -0.667 . . . . 64.14 110.898 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 9' ' ' PHE . 1.9 m -100.99 -170.43 1.84 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.305 -0.861 . . . . 62.12 109.05 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.824 ' HA ' HD12 ' A' ' 48' ' ' ILE . 56.3 t80 -48.87 -41.77 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.797 0.439 . . . . 75.12 111.723 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.497 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -64.3 -32.22 73.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.608 0.595 . . . . 74.01 112.608 -176.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.2 m -67.46 -43.06 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 72.3 111.024 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.44 -37.21 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.067 0.461 . . . . 54.33 110.193 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -61.0 -42.58 98.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.911 -0.586 . . . . 52.42 111.895 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 14' ' ' ARG . 2.4 ptm180 -72.41 -28.48 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.828 -175.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.26 -60.16 3.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.603 -0.726 . . . . 74.3 111.688 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HE1' HD13 ' A' ' 82' ' ' ILE . 59.4 p-90 -80.98 -23.67 38.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.514 . . . . 74.04 111.283 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.646 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 2.0 t-80 -49.54 -27.99 5.03 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.83 0.678 . . . . 70.1 112.83 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.01 -42.73 72.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.082 0.468 . . . . 75.13 110.93 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 115' ' ' GLU . 12.8 m -70.54 -22.84 62.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 65.04 110.909 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.48 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -83.95 -80.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 71.14 109.61 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 tptt 177.69 143.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 73.55 109.988 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 73.67 115.78 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.482 0.919 . . . . 63.23 113.482 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 p90 -121.84 137.15 54.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.932 -1.031 . . . . 72.23 108.268 166.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.425 ' HB3' ' HB2' ' A' ' 27' ' ' HIS . 50.9 m -153.13 54.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 71.54 111.407 -174.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.545 ' HB3' ' HA ' ' A' ' 2' ' ' GLU . 29.5 mp0 -58.93 -35.16 72.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.235 -0.438 . . . . 75.14 111.512 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.83 -35.9 82.59 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.17 0.51 . . . . 73.24 110.79 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 24' ' ' SER . 13.3 m170 -75.14 -28.81 60.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 70.14 110.653 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.28 -32.14 10.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.215 -0.902 . . . . 64.55 112.544 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 t -65.89 -52.27 51.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.662 0.245 . . . . 72.32 111.662 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -83.94 -33.76 24.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.243 0.46 . . . . 73.13 112.243 -177.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.61 -20.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.716 0.293 . . . . 75.44 111.586 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.96 -26.77 16.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.17 -0.468 . . . . 44.14 111.786 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -56.08 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 73.3 110.295 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -71.92 -26.56 62.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.402 -0.363 . . . . 72.35 110.574 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' HB ' ' A' ' 39' ' ' ILE . 2.6 tm? -51.77 -54.38 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.778 -0.646 . . . . 72.13 110.446 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.76 -28.69 61.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.096 0.406 . . . . 73.3 112.096 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.38 -47.43 76.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.393 . . . . 71.53 111.785 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' HD1' ' H ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -114.98 -15.11 11.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 72.03 111.712 -175.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.512 HG22 ' CD2' ' A' ' 40' ' ' PHE . 48.9 mm -115.1 114.48 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.416 -0.957 . . . . 75.13 108.416 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 69.1 m-85 71.29 54.42 0.39 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.525 -1.216 . . . . 73.11 110.756 -174.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 23.8 Cg_exo -63.57 -57.83 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.535 1.49 . . . . 73.41 111.412 -176.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 -41.03 5.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.188 0.518 . . . . 72.52 110.694 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' H ' HG13 ' A' ' 43' ' ' ILE . 2.4 pp -78.77 15.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.047 0.758 . . . . 71.42 113.047 -172.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.573 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -66.18 -11.63 55.95 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.868 -0.682 . . . . 52.41 113.15 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 m -96.5 15.02 22.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.31 . . . . 65.1 111.136 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.548 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 18.9 m -107.99 140.74 40.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 74.31 111.35 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.557 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 9.0 t0 -74.09 148.41 41.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 74.23 109.644 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 9' ' ' PHE . 11.7 tt -71.6 -28.09 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.014 0.435 . . . . 75.43 111.127 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.557 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 23.9 ptt180 -76.23 -21.52 56.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.457 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -132.15 77.38 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.525 0.678 . . . . 43.42 109.986 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tp -88.99 162.69 15.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.083 -0.962 . . . . 73.34 109.191 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HE2' ' OG ' ' A' ' 46' ' ' SER . 3.6 mptp? -79.84 174.8 11.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 74.25 110.613 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.773 HG22 ' H ' ' A' ' 54' ' ' SER . 1.8 m -82.93 -162.6 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 73.2 108.733 173.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.773 ' H ' HG22 ' A' ' 53' ' ' THR . 3.0 m -49.56 -18.01 0.38 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.155 0.798 . . . . 75.54 113.155 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -55.77 -29.55 59.8 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.548 0.339 . . . . 73.33 111.256 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -65.07 -15.3 62.21 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.262 -0.426 . . . . 74.35 111.782 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.79 -14.81 59.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.333 . . . . 71.25 111.243 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -53.15 -52.61 64.15 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.887 0.699 . . . . 71.44 112.887 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HA ' ' OE1' ' A' ' 62' ' ' GLU . 22.6 Cg_endo -63.11 -27.58 73.42 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 61.45 112.931 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.593 ' HA ' HG22 ' A' ' 63' ' ' VAL . 2.6 mp -69.08 -25.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.271 -0.64 . . . . 75.24 109.271 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 45.9 mmtt -70.54 -32.14 69.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.33 0.586 . . . . 74.43 110.484 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 59' ' ' PRO . 37.5 mt-10 -67.74 -41.27 83.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.828 -0.624 . . . . 72.14 110.155 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 60' ' ' ILE . 33.5 m -77.82 -29.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 63.04 111.787 -178.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -42.19 64.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.615 -0.513 . . . . 71.31 109.615 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -66.84 -16.37 64.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.407 0.622 . . . . 54.51 110.22 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -81.71 4.5 21.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 72.0 110.995 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.45 2.54 27.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.316 -0.945 . . . . 74.14 113.003 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -104.98 65.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.243 0.544 . . . . 72.43 110.645 178.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -70.92 -49.71 42.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 74.34 111.031 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 3.8 m-20 -66.53 -40.94 89.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.029 0.442 . . . . 73.35 110.033 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.744 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 59.4 t -56.73 -43.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.29 -0.868 . . . . 74.4 111.554 -176.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -53.44 -57.17 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.313 . . . . 72.13 111.626 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -60.35 -48.05 83.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 73.11 111.179 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 42.7 mtp180 -60.23 -34.95 74.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 75.0 111.288 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 38' ' ' TYR . 6.3 mp -73.23 -48.74 32.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.814 -0.176 . . . . 73.42 111.344 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.526 ' HA ' HG12 ' A' ' 79' ' ' VAL . 17.0 pt20 -64.39 -35.35 80.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 75.23 111.202 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.13 -33.11 70.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.683 -0.69 . . . . 62.15 110.792 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.76 -40.1 19.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 75.22 112.09 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 76' ' ' GLN . 12.3 p -64.13 -34.11 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.893 0.331 . . . . 72.53 111.893 -174.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.8 t -71.0 -30.61 66.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.976 0.417 . . . . 61.33 110.401 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.77 71.86 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.256 -0.429 . . . . 21.5 110.418 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 9' ' ' PHE . 27.6 mm -59.73 -53.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.521 0.677 . . . . 60.42 110.119 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.635 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 49.8 ttm -63.18 -39.75 95.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.852 -1.067 . . . . 73.44 110.791 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -64.36 -36.71 85.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 62.33 111.148 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.059 0.457 . . . . 74.41 109.872 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.35 83.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 74.24 111.272 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 44.9 t -74.94 -33.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 62.21 110.633 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -60.89 -41.3 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.049 -0.723 . . . . 72.3 109.049 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -15.27 60.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.492 -0.776 . . . . 62.02 111.036 176.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 t70 64.25 29.83 13.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.058 0.932 . . . . 71.32 109.419 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -81.34 -32.68 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.988 -1.005 . . . . 74.43 110.712 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.71 -171.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 72.53 110.119 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -98.26 -43.14 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.291 0.478 . . . . 63.12 112.291 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -151.81 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.771 0.319 . . . . 70.2 111.021 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 1.035 ' HB3' ' HB2' ' A' ' 98' ' ' SER . 14.4 m120 -116.09 85.84 15.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 73.33 111.024 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.635 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 23.6 Cg_exo -64.85 -39.96 23.48 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.516 2.144 . . . . 44.4 112.302 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.433 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . -116.39 43.9 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.093 0.473 . . . . 72.21 111.034 -177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 1.035 ' HB2' ' HB3' ' A' ' 95' ' ' ASN . 8.2 t -76.49 -46.95 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.352 -0.611 . . . . 23.11 109.352 177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -111.49 88.0 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 34.24 109.821 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.433 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.1 ppp? -135.36 -15.44 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 74.13 111.024 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.65 111.88 23.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 54.33 111.438 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.67 171.39 30.37 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.867 -0.682 . . . . 62.22 111.919 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.4 92.17 4.21 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.893 0.378 . . . . 61.52 110.912 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 pp -100.84 -32.51 10.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.311 -0.404 . . . . 51.13 111.733 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.4 m -154.96 27.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 62.35 110.692 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.02 102.13 6.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.889 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.01 148.98 50.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.143 -0.48 . . . . 75.1 109.85 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.814 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -82.01 106.46 13.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 72.43 111.643 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.562 ' C ' ' HD2' ' A' ' 110' ' ' ARG . . . 177.99 37.59 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.51 -1.223 . . . . 65.22 110.259 -177.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.562 ' HD2' ' C ' ' A' ' 109' ' ' ALA . 2.2 mpt_? -127.44 -168.76 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.539 -0.301 . . . . 73.41 111.226 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 63.63 80.12 0.24 Allowed 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.83 0.706 . . . . 75.22 110.63 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.21 114.1 16.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 53.41 111.109 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -80.39 145.74 16.97 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.43 2.087 . . . . 73.01 111.324 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 49.7 tp -143.28 -69.75 0.33 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.096 -0.502 . . . . 62.21 109.946 177.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 19' ' ' SER . 8.1 tp10 -110.45 147.2 34.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -135.49 97.67 3.75 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.345 0.593 . . . . 72.43 110.806 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -75.97 96.25 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 73.24 109.86 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -110.32 143.68 40.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 84.2 t60 64.79 83.31 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.934 0.771 . . . . 71.44 110.519 -177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -95.84 99.76 11.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.235 -0.654 . . . . 73.34 109.235 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.547 -0.739 . . . . 73.53 109.98 -176.697 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.724 0.297 . . . . 51.52 111.416 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -68.46 -35.14 77.14 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.908 0.707 . . . . 61.33 112.908 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -65.15 101.42 0.53 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.88 0.372 . . . . 60.41 110.385 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 m -103.64 122.47 45.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.2 -0.454 . . . . 72.33 111.518 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.93 13.96 76.38 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.936 -0.575 . . . . 73.11 113.222 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HB3' HG21 ' A' ' 11' ' ' THR . . . -101.13 102.12 12.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.772 0.32 . . . . 71.44 110.86 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -93.81 73.07 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.231 0.539 . . . . 74.41 110.139 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.57 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 18.9 m -119.87 150.23 40.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.628 -0.715 . . . . 74.52 110.427 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.673 ' HA ' HD12 ' A' ' 48' ' ' ILE . 37.5 t80 -50.75 -50.68 55.15 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.666 0.604 . . . . 74.13 111.515 -178.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -73.75 -31.87 63.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 63.32 111.631 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.57 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 16.1 m -65.17 -39.68 93.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.298 -0.41 . . . . 75.32 111.133 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.496 HD12 HD13 ' A' ' 48' ' ' ILE . 50.3 mt -72.37 -28.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.944 0.402 . . . . 71.41 110.433 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.25 74.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 74.1 111.844 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 15.1 ptm180 -76.85 -32.89 57.84 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.763 -0.375 . . . . 73.34 110.877 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -54.91 -53.35 56.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.728 -0.669 . . . . 73.31 111.92 -172.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -79.41 -26.19 41.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.47 -0.492 . . . . 74.24 111.346 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -75.08 -24.67 58.2 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.324 0.49 . . . . 71.33 112.324 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 37.0 mt-10 -63.83 4.45 0.29 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.716 1.006 . . . . 72.24 113.716 -174.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -74.0 -7.34 52.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.448 0.642 . . . . 72.31 109.474 168.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 70.53 91.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.586 -1.188 . . . . 75.3 112.044 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 58.9 mmtt -113.44 92.62 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.166 -0.924 . . . . 73.24 109.569 168.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.66 -73.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.459 -1.246 . . . . 54.31 112.134 -178.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -64.14 127.1 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 73.52 111.57 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.8 m -86.7 164.7 16.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.635 . . . . 43.35 110.578 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -68.13 -33.38 74.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.669 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -56.01 -50.6 70.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 73.05 110.781 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 30' ' ' ARG . 78.8 m-70 -73.89 -27.74 61.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.698 -0.683 . . . . 73.22 110.705 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.479 ' NH1' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.06 -41.86 68.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.002 0.429 . . . . 75.51 110.11 175.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -75.81 -41.67 52.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 72.03 110.689 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . 24.8 mtt180 -57.03 -51.67 68.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.505 . . . . 51.13 111.402 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.22 -14.41 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 74.41 112.165 -173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD13 ' NH1' ' A' ' 28' ' ' ARG . 52.6 tp -50.54 -37.45 39.44 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.823 0.675 . . . . 74.43 112.823 -172.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -61.5 -50.57 72.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.243 0.544 . . . . 73.03 110.176 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -70.98 -28.79 64.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 70.23 110.427 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.33 -51.74 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 72.43 110.582 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.3 pt-20 -72.75 -30.68 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.378 -0.529 . . . . 63.52 110.803 -177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.08 -23.77 63.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 74.42 111.013 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -100.56 -44.86 5.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 71.41 111.085 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.611 HD11 HD12 ' A' ' 75' ' ' LEU . 69.2 mt -96.69 -29.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.129 0.418 . . . . 74.51 112.129 -173.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 93.8 m-85 -120.27 68.53 13.93 Favored Pre-proline 0 CA--C 1.534 0.33 0 O-C-N 122.024 -0.423 . . . . 73.54 111.841 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 3.2 Cg_exo -74.94 -57.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.628 1.552 . . . . 75.33 111.663 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -105.49 -28.19 10.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.524 . . . . 45.31 110.953 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.2 pt -87.04 8.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 112.523 0.564 . . . . 74.12 112.523 -168.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -81.49 -5.21 90.12 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.691 -0.766 . . . . 70.01 111.989 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 p -85.59 -11.74 53.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.405 . . . . 65.51 110.666 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -69.19 140.93 54.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.842 -0.617 . . . . 71.3 110.826 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -96.5 150.14 20.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 9' ' ' PHE . 16.3 tt -67.48 -19.56 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.006 0.432 . . . . 64.53 111.234 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.64 -31.84 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.974 0.416 . . . . 75.44 110.416 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.25 89.44 2.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.413 -0.588 . . . . 74.41 109.413 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.74 161.54 13.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.918 -0.583 . . . . 63.02 109.629 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -105.93 172.47 6.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.106 0.479 . . . . 72.42 111.577 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.609 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -87.01 -160.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 74.13 111.653 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.438 ' H ' ' HB ' ' A' ' 53' ' ' THR . 4.6 m -59.11 5.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.213 1.19 . . . . 75.32 114.213 -172.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -69.33 -29.58 67.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.415 0.626 . . . . 74.14 109.601 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 53' ' ' THR . 3.2 pp -77.14 -12.5 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.446 -0.797 . . . . 71.23 111.248 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 100' ' ' MET . 61.0 tp -70.47 -26.48 63.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.44 111.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.65 -50.94 84.11 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.041 0.386 . . . . 74.41 112.041 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.4 Cg_exo -50.15 -47.66 23.05 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.675 2.25 . . . . 74.33 113.574 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 76' ' ' GLN . 47.5 mm -63.68 -33.49 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.624 0.726 . . . . 74.21 110.101 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 61' ' ' LYS . 57.9 mmtt -69.98 -23.41 63.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.26 -0.882 . . . . 75.21 111.906 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' OE2' ' HA ' ' A' ' 59' ' ' PRO . 55.0 mt-10 -54.24 -38.91 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.177 0.513 . . . . 71.44 110.044 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.74 -48.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 73.04 110.247 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.26 -37.31 62.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.075 -0.966 . . . . 74.1 111.337 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.3 m -63.98 -38.42 91.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.986 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 -41.7 72.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.604 0.716 . . . . 74.0 109.397 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 -146.31 14.29 Favored Glycine 0 N--CA 1.43 -1.728 0 N-CA-C 108.852 -1.699 . . . . 60.31 108.852 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 54.03 30.8 12.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.211 0.529 . . . . 73.02 111.018 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -61.42 -33.71 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.305 -0.861 . . . . 75.0 111.59 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.98 -53.16 22.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.768 0.318 . . . . 72.12 110.835 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.36 -34.48 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.099 -0.5 . . . . 64.43 110.771 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.44 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.665 0.269 . . . . 62.14 110.705 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.48 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -62.0 -43.64 98.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.163 0.506 . . . . 61.44 111.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 20.1 tpt180 -64.57 -38.49 91.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.112 -0.495 . . . . 64.34 111.1 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.611 HD12 HD11 ' A' ' 39' ' ' ILE . 3.3 mm? -73.7 -43.95 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.206 0.447 . . . . 74.24 112.206 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 16.7 pt20 -56.67 -34.48 67.42 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 74.4 110.966 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -52.78 -23.77 7.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.984 -1.007 . . . . 73.13 112.45 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.47 ' O ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -60.2 -34.07 73.12 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.114 0.483 . . . . 54.1 110.405 179.374 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.86 -40.19 78.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 74.11 109.773 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -66.85 -34.51 77.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.573 -0.739 . . . . 65.35 110.674 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 74.35 110.602 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 78' ' ' ARG . 46.8 mm -61.67 -41.96 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 61.35 110.294 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.62 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 4.7 mmt -57.94 -33.02 68.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 73.44 111.483 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -60.95 -58.88 6.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.995 -0.372 . . . . 72.35 109.995 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.74 -34.76 78.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 73.53 110.505 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 64.43 111.553 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.529 HG21 ' HA ' ' A' ' 95' ' ' ASN . 61.2 t -72.05 -32.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.359 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -66.14 -24.42 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.769 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.437 ' HB3' ' CD2' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -76.34 -3.7 38.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.635 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 66.01 25.99 10.89 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.385 0.883 . . . . 74.22 113.385 170.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.476 ' CD1' HG23 ' A' ' 92' ' ' ILE . 31.8 p90 -103.93 -10.14 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.655 -0.818 . . . . 74.24 111.345 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 91' ' ' TYR . 17.8 pt -140.51 142.47 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 45.44 110.552 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.35 87.24 2.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.081 0.467 . . . . 72.21 110.676 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.0 m -161.4 -52.0 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.465 -0.789 . . . . 74.03 109.966 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.529 ' HA ' HG21 ' A' ' 87' ' ' VAL . 0.2 OUTLIER 60.6 79.28 0.29 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.398 -0.819 . . . . 74.14 110.86 -176.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.62 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 5.6 Cg_exo -78.91 -167.41 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.066 2.51 . . . . 52.05 111.394 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.13 6.82 3.72 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.711 -0.677 . . . . 74.42 111.959 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 p -66.26 -41.41 89.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.069 0.462 . . . . 73.53 111.024 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -90.57 -7.57 52.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 74.12 110.094 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.483 ' HG2' ' HB2' ' A' ' 57' ' ' LEU . 1.7 tmt? -73.38 -51.43 17.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 61.43 110.02 -177.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.84 76.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.971 -0.559 . . . . 52.31 109.558 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.95 -156.88 9.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.804 -0.712 . . . . 70.41 112.615 -177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.47 89.68 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 71.01 110.952 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -109.0 -73.73 0.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.213 -0.662 . . . . 74.11 109.213 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.1 t -107.21 17.42 22.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 62.41 109.805 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -142.47 172.54 12.56 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.454 -0.794 . . . . 72.24 109.408 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.4 m 72.17 155.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.078 0.861 . . . . 71.33 111.388 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.16 77.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.212 -0.904 . . . . 74.23 111.709 -176.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.59 -63.4 1.4 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.326 -0.99 . . . . 70.31 108.326 172.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 44.21 74.71 0.12 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.852 -1.067 . . . . 72.03 111.444 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -164.54 88.72 0.5 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.056 -0.975 . . . . 74.44 108.741 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.449 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 48.3 t80 -161.31 125.49 2.01 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.793 -0.639 . . . . 71.34 109.965 -173.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 2.9 Cg_exo -71.77 99.97 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.455 2.103 . . . . 75.03 110.707 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.779 ' H ' HD23 ' A' ' 114' ' ' LEU . 2.5 pt? -99.35 4.18 46.26 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.217 -0.901 . . . . 51.03 111.126 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.11 152.55 20.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 74.03 111.752 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -146.82 169.83 18.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 75.24 110.348 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -136.69 147.08 46.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 72.42 109.828 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -96.59 123.58 40.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.987 0.422 . . . . 74.44 111.283 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -132.87 100.78 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.868 -0.79 . . . . 63.45 108.868 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -98.4 111.2 23.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.015 -0.539 . . . . 74.14 110.931 -172.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 118.133 -0.937 . . . . 75.43 110.508 179.486 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.836 0.351 . . . . 53.54 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.75 112.75 24.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.251 0.548 . . . . 55.24 110.644 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.05 20.99 14.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 64.14 110.575 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 t -62.51 -72.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 73.31 109.716 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.61 -39.16 9.04 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.126 -1.189 . . . . 64.0 110.126 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.79 92.88 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.417 0.687 . . . . 62.25 112.176 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -81.53 43.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.579 -0.737 . . . . 74.43 110.189 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 10' ' ' GLU . 10.2 m -103.99 143.08 33.35 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.675 -0.693 . . . . 72.31 110.285 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.845 ' HA ' HD12 ' A' ' 48' ' ' ILE . 54.1 t80 -58.8 -37.7 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 71.52 110.602 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 27.9 tt0 -66.22 -46.22 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 74.34 111.826 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -62.04 -39.6 92.9 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.417 0.525 . . . . 71.43 112.417 -173.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.663 HD12 HD13 ' A' ' 48' ' ' ILE . 59.6 mt -74.17 -36.0 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.869 0.366 . . . . 74.15 110.448 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.18 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.947 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.3 mtt180 -55.87 -46.49 78.26 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.091 -0.504 . . . . 75.25 111.218 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -58.25 8.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 62.52 112.082 -165.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -75.24 -33.92 61.36 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.312 -0.404 . . . . 74.01 111.427 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -72.45 -27.98 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.988 0.366 . . . . 53.4 111.988 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.1 mt-10 -68.1 1.0 3.06 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.021 0.378 . . . . 75.04 112.021 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -67.22 -24.15 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 71.52 109.234 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.68 90.1 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.089 -0.96 . . . . 64.24 108.786 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -156.17 145.43 20.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 75.45 111.191 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -163.15 81.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.035 -0.53 . . . . 75.2 110.117 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 44.82 57.18 4.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.411 -0.813 . . . . 75.22 112.591 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -115.22 17.76 16.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.402 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.1 tp10 -69.55 -40.18 76.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.773 -0.649 . . . . 74.13 111.87 -172.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.12 -50.09 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.849 0.315 . . . . 65.0 111.849 -172.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -74.8 -26.86 60.03 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.487 -0.485 . . . . 72.21 111.555 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HG12 ' A' ' 31' ' ' VAL . 3.7 ppt_? -72.61 -24.29 61.05 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.541 -0.464 . . . . 75.23 110.42 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.0 m -70.23 -28.07 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 35.34 110.625 175.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 30' ' ' ARG . 32.0 mtt180 -82.13 -48.86 10.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.371 0.605 . . . . 64.3 109.996 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 28' ' ' ARG . 8.9 p -67.95 -13.08 16.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.361 -0.836 . . . . 71.13 111.155 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 36.9 tp -50.65 -32.56 19.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.098 -0.501 . . . . 55.44 111.462 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -55.83 -43.68 77.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.166 0.508 . . . . 64.42 110.802 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -68.59 -40.44 80.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.555 -0.748 . . . . 74.43 110.14 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.91 -51.45 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 73.35 110.255 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 49.2 mt-10 -59.32 -41.97 90.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 51.31 111.444 -178.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 tp -70.83 -36.66 73.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.479 . . . . 70.23 112.281 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -96.39 -26.88 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 49.0 mm -92.25 -31.71 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.737 -0.385 . . . . 71.31 111.081 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -128.9 61.99 59.31 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 121.027 -0.269 . . . . 63.53 111.18 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 2.9 Cg_endo -80.22 -58.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.948 1.765 . . . . 73.21 112.506 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -107.83 -2.85 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 75.33 110.585 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG23 ' HG2' ' A' ' 59' ' ' PRO . 27.0 pt -123.6 13.45 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.982 0.734 . . . . 54.42 112.982 -166.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.4 -9.24 72.83 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.672 -0.775 . . . . 52.24 113.404 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 p -90.67 8.64 33.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.766 -0.255 . . . . 60.25 111.683 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -93.47 151.47 19.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.722 0.296 . . . . 54.33 111.542 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.651 ' OD1' ' HG2' ' A' ' 49' ' ' ARG . 17.5 t70 -87.96 160.73 17.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 74.04 109.999 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 9' ' ' PHE . 15.3 tt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 112.466 0.543 . . . . 74.45 112.466 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.651 ' HG2' ' OD1' ' A' ' 47' ' ' ASP . 35.5 ptt-85 -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.149 -0.62 . . . . 73.1 111.016 -175.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -146.23 80.05 1.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.525 0.679 . . . . 74.42 109.216 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.38 150.91 33.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.24 -0.891 . . . . 74.4 109.681 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -97.56 175.3 6.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.898 0.38 . . . . 73.52 111.541 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -163.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 62.11 112.287 -176.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.461 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 6.9 m -65.56 4.7 0.52 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.599 -0.728 . . . . 72.3 112.517 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -63.6 -28.02 69.64 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 108.244 -1.021 . . . . 74.31 108.244 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.09 -17.34 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.255 -1.339 . . . . 75.44 110.979 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HG ' ' HD3' ' A' ' 61' ' ' LYS . 50.7 tp -80.38 -22.67 41.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 72.11 112.065 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.611 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -49.91 -51.64 59.22 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.008 0.744 . . . . 71.13 113.008 -175.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 47.4 Cg_exo -59.4 -38.47 83.86 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.101 1.867 . . . . 71.11 113.086 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.692 HG21 HE21 ' A' ' 76' ' ' GLN . 3.0 mp -66.09 -28.0 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 70.33 110.158 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.619 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 2.3 mmmp? -69.37 -29.52 67.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.899 0.857 . . . . 43.33 109.698 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.13 -29.51 65.34 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.395 -1.275 . . . . 74.03 109.88 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.99 -47.07 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 61.33 111.111 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.771 ' HB2' ' HA ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -63.71 -35.16 79.64 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.498 -0.319 . . . . 70.32 110.862 -176.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.9 m -63.5 -21.62 66.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.031 0.443 . . . . 73.43 111.221 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 m -76.21 -9.55 58.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.424 -0.353 . . . . 73.45 111.054 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.14 -45.36 1.08 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.454 -0.879 . . . . 44.45 113.023 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.676 ' HB3' HG12 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -81.86 78.97 8.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.644 0.735 . . . . 61.51 111.457 -176.406 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.771 ' HA ' ' HB2' ' A' ' 64' ' ' ASP . 33.5 t-80 -73.48 -48.98 29.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.701 -1.136 . . . . 74.01 111.377 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.11 -45.25 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 64.3 112.584 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.676 HG12 ' HB3' ' A' ' 68' ' ' LYS . 9.8 p -60.36 -33.91 55.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.694 0.283 . . . . 74.35 110.672 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.61 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.974 0.416 . . . . 44.42 110.352 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -65.51 -44.72 86.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.719 -0.673 . . . . 51.42 111.056 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.66 -39.35 91.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 70.32 110.481 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 HG22 ' A' ' 71' ' ' VAL . 7.2 mp -74.1 -46.31 43.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 74.3 112.199 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.692 HE21 HG21 ' A' ' 60' ' ' ILE . 3.0 pt20 -61.25 -36.16 79.22 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.022 0.379 . . . . 74.41 112.022 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -20.3 2.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.662 -0.699 . . . . 75.34 112.459 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.8 ptp180 -58.04 -33.01 68.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.788 0.292 . . . . 72.22 111.788 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 76' ' ' GLN . 35.3 m -59.89 -35.74 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 53.44 111.48 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -69.28 -37.41 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.46 . . . . 63.2 110.198 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.32 79.83 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.894 -0.594 . . . . 72.2 110.411 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 78' ' ' ARG . 42.8 mm -58.54 -50.48 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.99 -0.55 . . . . 55.54 110.095 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.509 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 24.0 mmt -60.08 -39.09 84.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 75.13 111.134 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -61.17 -46.53 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 75.22 110.956 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -73.17 -41.03 64.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.907 0.384 . . . . 70.12 110.802 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.584 ' HB1' HG23 ' A' ' 92' ' ' ILE . . . -62.71 -38.22 89.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 53.23 111.718 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.547 ' HB ' HD11 ' A' ' 92' ' ' ILE . 5.5 p -72.14 -31.78 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.21 0.528 . . . . 75.41 110.0 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.11 69.72 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.254 -0.884 . . . . 60.53 110.216 -176.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -98.38 12.9 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.438 -0.801 . . . . 64.23 110.757 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 62.22 30.22 17.58 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.431 0.53 . . . . 74.43 112.431 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -86.57 -49.02 7.85 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.766 -0.374 . . . . 74.51 111.816 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 49' ' ' ARG . 39.1 pt -88.29 163.85 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.041 0.448 . . . . 64.44 112.206 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.79 -59.01 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 63.52 111.007 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' HD12 ' A' ' 92' ' ' ILE . 1.7 p -131.84 173.67 10.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 51.13 110.77 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -110.51 88.16 7.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 75.31 111.558 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.509 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 94.9 Cg_endo -87.27 -171.34 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.775 2.317 . . . . 71.23 111.397 174.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.7 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 70.79 -2.44 2.28 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.475 0.546 . . . . 70.31 112.475 175.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 53.11 110.616 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -122.09 15.02 10.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.878 0.847 . . . . 72.2 109.027 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.7 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 23.8 ttt -71.11 -31.62 68.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.275 -0.875 . . . . 72.34 110.657 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.29 134.83 54.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.827 -0.624 . . . . 62.11 110.055 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.9 -135.77 1.88 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.428 -0.891 . . . . 64.41 112.801 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.1 81.73 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.135 0.493 . . . . 62.21 111.823 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 pp -136.49 -6.34 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.747 -0.66 . . . . 75.13 110.382 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.5 m -112.88 -7.35 13.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.811 -0.631 . . . . 62.21 110.204 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 p -99.95 105.13 16.8 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.669 -0.696 . . . . 72.1 110.944 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.02 143.81 38.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.99 -0.55 . . . . 62.34 110.489 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt 179.67 178.11 0.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.311 -0.859 . . . . 64.34 109.322 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.49 -69.1 0.06 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.045 -0.525 . . . . 53.41 110.698 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 111' ' ' HIS . 13.8 tpt180 179.72 156.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.781 -0.822 . . . . 75.34 108.781 -177.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 110' ' ' ARG . 49.9 t-80 74.78 89.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.685 0.615 . . . . 72.13 111.3 175.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 74.4 t80 -116.05 115.44 40.78 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.576 -0.738 . . . . 75.11 109.115 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 1.0 OUTLIER -76.76 107.24 2.4 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.479 2.119 . . . . 62.34 112.272 -176.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 tp -75.53 -36.17 60.55 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.222 -0.899 . . . . 71.14 110.594 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -86.86 34.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 45.22 111.059 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.475 ' HB2' ' HB2' ' A' ' 113' ' ' PRO . 53.5 t-80 -122.14 92.45 3.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.239 -0.437 . . . . 73.32 109.857 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -101.87 83.47 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.307 0.575 . . . . 73.51 110.967 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 53.2 t60 178.97 121.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.329 -1.36 . . . . 63.35 107.329 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -82.85 76.24 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.399 -0.52 . . . . 73.51 111.49 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -177.74 107.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.238 -0.892 . . . . 71.41 109.838 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.003 -0.999 . . . . 70.33 109.202 177.174 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtm . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.624 -0.51 . . . . 72.11 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.61 . . . . 72.42 111.081 -174.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.88 138.51 33.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.64 . . . . 74.22 109.664 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 68.04 -152.27 0.17 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.705 0.628 . . . . 71.11 109.603 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.62 -52.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.461 -0.876 . . . . 72.33 112.046 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.59 90.88 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.167 -0.308 . . . . 62.44 110.167 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -74.4 94.03 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.122 0.487 . . . . 64.43 110.231 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.701 ' HB ' ' OE1' ' A' ' 10' ' ' GLU . 1.2 m -115.55 -177.03 3.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.764 -0.653 . . . . 70.24 110.064 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.668 ' H ' HG22 ' A' ' 8' ' ' THR . 72.0 t80 -55.49 -42.54 74.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.676 0.39 . . . . 75.21 111.613 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.701 ' OE1' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -72.26 -31.75 66.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 71.02 111.99 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 64.54 110.902 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.48 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 71.14 110.392 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.55 86.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.564 -0.744 . . . . 44.34 111.288 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.341 . . . . 64.41 111.74 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.32 -56.57 15.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.075 -0.512 . . . . 51.54 111.395 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' HE1' ' HA ' ' A' ' 82' ' ' ILE . 66.2 p-90 -79.55 -32.05 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.729 -0.389 . . . . 75.24 110.854 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -61.52 -35.47 77.8 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.662 0.616 . . . . 71.13 112.662 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.28 -17.2 62.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.05 0.389 . . . . 70.43 112.05 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.5 m -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.281 0.562 . . . . 74.31 110.122 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -113.68 76.41 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.263 -1.014 . . . . 71.04 108.263 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 2.0 tmtp? -98.84 140.19 33.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.54 -0.754 . . . . 72.14 110.844 -170.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.522 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 27.0 ttm180 -98.34 160.38 14.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.847 -0.427 . . . . 65.44 109.847 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -43.31 -73.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.058 1.133 . . . . 70.33 114.058 -167.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.2 p -99.71 115.3 29.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.136 0.493 . . . . 71.42 112.033 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -69.45 -26.65 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 74.1 111.276 177.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.53 -36.16 83.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.439 . . . . 72.02 110.847 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -74.21 -28.28 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 72.24 110.14 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 24' ' ' SER . 16.3 mmp_? -66.79 -31.39 71.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.089 -0.505 . . . . 71.22 109.668 174.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 t -62.06 -33.97 75.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.052 -0.522 . . . . 53.22 110.829 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -69.36 -37.23 77.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.957 -0.757 . . . . 72.31 108.957 176.467 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 t -69.89 -21.87 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 73.42 110.321 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.91 -39.24 88.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.237 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -71.38 -40.56 70.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 74.21 110.734 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.58 -43.92 80.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.135 -0.484 . . . . 74.25 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 39' ' ' ILE . 51.8 tp -63.77 -50.62 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.529 -0.76 . . . . 64.51 110.468 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -51.73 -49.47 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 75.42 111.961 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.67 -17.73 64.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.47 0.545 . . . . 73.21 112.47 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -111.07 -23.86 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.075 0.768 . . . . 75.21 113.075 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.524 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 11.2 tp -92.92 -19.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.628 -0.429 . . . . 75.3 110.089 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.826 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 40.8 m-85 -124.11 53.98 7.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 111.899 0.333 . . . . 74.33 111.899 176.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 56.3 Cg_endo -98.85 -59.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.834 1.689 . . . . 63.55 112.983 176.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -106.19 -41.36 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.23 0.538 . . . . 73.42 110.312 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.472 HG21 ' HB2' ' A' ' 56' ' ' LEU . 36.9 pt -91.86 -10.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.518 -0.765 . . . . 73.52 111.444 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.826 ' HA3' ' HA ' ' A' ' 40' ' ' PHE . . . -87.0 21.52 19.53 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.705 -0.76 . . . . 71.12 113.071 -174.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 p -89.05 0.12 56.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.268 0.556 . . . . 75.11 110.507 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 m -114.12 172.91 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 71.53 110.612 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.1 158.62 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.402 -0.592 . . . . 63.12 109.402 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.89 -25.38 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 120.947 0.403 . . . . 74.01 110.837 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 41.6 ttp-105 -72.69 -20.84 61.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.323 -0.398 . . . . 63.32 110.908 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -133.78 72.08 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.279 0.561 . . . . 71.22 110.015 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -97.42 149.96 21.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.659 -0.7 . . . . 70.33 110.346 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 3.5 mptp? -94.63 170.57 9.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.584 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.893 ' HA ' ' HB2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -79.38 -163.11 0.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 62.11 111.034 -178.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.63 ' H ' HG22 ' A' ' 53' ' ' THR . 16.3 m -62.01 3.49 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.815 0.672 . . . . 65.42 112.815 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -59.34 -31.65 69.38 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.466 -0.568 . . . . 72.13 109.466 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 pp -75.25 -14.91 60.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.433 -0.803 . . . . 73.04 111.31 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.78 -24.48 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 74.43 110.933 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -64.11 -52.95 51.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.546 -0.297 . . . . 73.32 111.271 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 89.0 Cg_exo -53.81 -35.29 78.64 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.268 1.979 . . . . 74.31 112.969 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.467 HG22 ' HB1' ' A' ' 72' ' ' ALA . 50.8 mm -69.27 -32.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 73.04 109.64 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 64' ' ' ASP . 18.0 tptp -70.79 -25.27 62.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.481 -0.781 . . . . 72.5 109.543 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 59' ' ' PRO . 34.4 tt0 -62.13 -37.61 85.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.125 -0.943 . . . . 72.54 109.743 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.95 -36.83 65.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.161 0.505 . . . . 75.25 109.773 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.55 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 2.3 t70 -53.84 -51.09 64.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 74.23 109.68 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -60.56 -29.72 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.298 -0.865 . . . . 70.21 111.571 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -69.89 -16.87 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.378 . . . . 72.4 110.984 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.5 -15.98 10.58 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.983 -0.627 . . . . 74.42 112.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.926 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.1 mmpt? -94.81 46.52 1.13 Allowed 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.679 0.752 . . . . 54.35 111.571 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.549 -1.205 . . . . 72.05 110.919 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -74.33 -44.05 54.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 75.43 109.976 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 60.9 t -72.34 -37.86 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 63.53 110.571 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB1' HG22 ' A' ' 60' ' ' ILE . . . -53.29 -51.42 62.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.994 -0.548 . . . . 65.53 111.388 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.607 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 tt0 -61.87 -45.9 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.412 0.625 . . . . 64.2 111.216 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 8.4 tpt180 -56.37 -32.49 64.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.987 -1.006 . . . . 75.2 111.107 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 97.1 mt -74.15 -49.81 22.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.354 -0.385 . . . . 52.15 111.387 176.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.607 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.6 pt20 -65.62 -41.0 93.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.74 0.305 . . . . 74.33 111.801 -175.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -67.34 -19.97 65.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 61.11 110.558 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 82' ' ' ILE . 20.9 ttm180 -80.81 -49.67 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.904 -0.589 . . . . 64.44 110.707 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.82 -32.45 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.403 . . . . 63.43 111.098 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 19.0 p -65.34 -32.41 74.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.799 0.333 . . . . 71.51 110.887 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.4 -38.07 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.526 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.552 ' HA ' ' HE1' ' A' ' 16' ' ' TRP . 83.3 mt -60.76 -51.54 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 74.24 110.58 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 ttt -70.97 -25.1 62.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 62.41 110.492 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' THR . 15.0 tpp85 -59.74 -46.08 90.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 74.4 110.364 178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -68.71 -30.07 68.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.355 0.598 . . . . 72.31 109.769 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.024 ' HB1' ' HE1' ' A' ' 91' ' ' TYR . . . -65.76 -22.92 66.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 74.02 111.335 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' MET . 46.8 t -72.54 -23.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.468 . . . . 64.41 110.294 176.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.5 tp60 -67.95 -36.57 80.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 61.23 111.265 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.17 -7.9 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 75.2 110.492 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 57.02 64.94 1.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.551 -0.75 . . . . 73.44 112.768 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 1.024 ' HE1' ' HB1' ' A' ' 86' ' ' ALA . 7.5 p90 -111.06 0.34 16.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.398 0.618 . . . . 73.32 109.661 169.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.6 pt -130.42 143.61 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.433 -0.803 . . . . 72.13 110.614 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.51 25.35 8.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.952 0.406 . . . . 72.54 110.833 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.4 m -132.46 -60.82 0.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 74.15 110.904 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 55.2 78.48 0.38 Allowed Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 115.887 -0.597 . . . . 72.44 111.171 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.893 ' HB2' ' HA ' ' A' ' 53' ' ' THR . 72.5 Cg_endo -76.17 -17.26 17.2 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.706 2.271 . . . . 53.13 112.483 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 80' ' ' THR . . . -82.46 79.49 8.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.311 0.577 . . . . 53.53 110.806 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 m -140.21 -64.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.961 -0.563 . . . . 74.05 111.314 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 46.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.767 0.317 . . . . 73.14 111.233 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 85.4 mtp -90.47 -41.13 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 72.33 110.966 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.06 23.77 10.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.263 -0.426 . . . . 20.42 110.511 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.62 100.35 0.9 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 31.44 112.606 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 59.79 86.26 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.29 0.567 . . . . 72.22 111.503 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.557 HD13 HE21 ' A' ' 73' ' ' GLN . 5.1 tt -124.97 102.73 7.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.177 -0.675 . . . . 70.24 109.177 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 t 71.26 12.5 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.176 -0.92 . . . . 74.4 110.709 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -80.94 114.24 19.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.406 -0.59 . . . . 62.44 109.406 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 -59.56 2.0 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.732 -0.667 . . . . 72.21 112.022 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 21.4 mmtp -90.2 108.57 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.248 0.547 . . . . 62.41 112.007 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -162.2 37.5 0.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.935 -1.029 . . . . 61.53 110.221 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 110' ' ' ARG . 28.1 mmt180 -119.04 -78.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.374 0.509 . . . . 71.31 112.374 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.77 132.31 41.14 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.964 -0.294 . . . . 73.45 110.252 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 45.9 p90 -130.08 140.57 39.05 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.171 -0.468 . . . . 55.34 110.668 -177.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.424 ' HG2' ' HE1' ' A' ' 116' ' ' HIS . 31.8 Cg_exo -59.66 155.27 43.63 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.937 2.425 . . . . 73.12 111.908 175.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.2 tp -68.94 -49.61 56.49 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.391 -0.822 . . . . 75.42 110.821 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 1.2 tm-20 -171.96 118.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.25 109.861 -177.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.424 ' HE1' ' HG2' ' A' ' 113' ' ' PRO . 46.0 m80 -75.22 97.54 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 65.01 110.143 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 115' ' ' GLU . 26.1 m-70 -72.15 -48.39 43.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.325 -172.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -105.2 150.69 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.61 -0.268 . . . . 72.41 110.485 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -95.43 -4.08 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.269 0.47 . . . . 75.42 112.269 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 69.61 123.29 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.34 0.59 . . . . 72.11 111.83 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.435 -0.793 . . . . 72.15 109.735 176.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.17 -0.307 . . . . 75.1 110.17 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.25 119.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.019 0.824 . . . . 74.52 112.399 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.67 136.94 45.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.673 -0.694 . . . . 73.14 109.398 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t -141.78 164.19 30.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.84 0.352 . . . . 72.42 110.258 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.06 104.16 0.53 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.092 -0.575 . . . . 74.12 111.749 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.93 -177.49 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.198 0.523 . . . . 75.42 111.041 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -107.07 2.78 25.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.564 -0.744 . . . . 74.22 109.908 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 11' ' ' THR . 24.3 m -58.35 142.23 48.79 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.4 -0.818 . . . . 71.13 111.529 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.69 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 36.7 t80 -48.34 -37.52 16.84 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.7 -0.682 . . . . 73.32 112.234 -177.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.88 -40.08 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.841 0.682 . . . . 54.43 112.841 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 8' ' ' THR . 13.4 t -70.63 -30.66 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.818 -0.353 . . . . 63.1 111.113 -173.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.76 -44.21 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.689 -0.486 . . . . 72.51 109.689 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.2 -35.75 81.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.837 -0.619 . . . . 65.04 111.022 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.66 -45.06 93.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 53.42 110.959 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.36 -54.36 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.547 -0.751 . . . . 74.34 112.372 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.615 ' HE1' HG12 ' A' ' 82' ' ' ILE . 69.5 p-90 -79.47 -38.15 35.22 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.646 -0.422 . . . . 75.52 111.637 -176.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -65.2 -24.9 67.49 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.975 0.361 . . . . 71.44 111.975 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -53.82 -14.71 1.03 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.852 0.686 . . . . 70.03 112.852 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -38.75 88.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 54.24 110.477 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -131.71 84.67 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.121 0.962 . . . . 65.52 110.47 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.59 159.16 20.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 61.34 110.471 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HD2' ' O ' ' A' ' 23' ' ' TRP . 7.7 tmm_? -115.41 138.94 50.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.894 -0.78 . . . . 73.51 108.894 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.487 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 5.6 m-90 -76.0 176.61 7.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 73.55 111.749 -172.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 46.6 m 65.56 46.4 2.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.638 -0.71 . . . . 72.31 110.04 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.93 -21.5 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.366 -0.834 . . . . 71.42 111.632 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.65 -30.65 14.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.507 0.67 . . . . 75.02 110.407 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 24' ' ' SER . 32.8 m-70 -65.77 -21.61 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.995 -1.002 . . . . 73.34 112.089 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -44.48 -34.77 2.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.561 0.744 . . . . 63.32 111.607 -176.268 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -54.5 -46.46 73.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.951 0.405 . . . . 71.34 110.966 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 5.3 mpt_? -81.7 -34.75 30.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 74.51 110.565 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 28' ' ' ARG . 61.5 t -62.38 -33.45 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.059 -0.519 . . . . 52.42 110.615 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 64.7 tp -56.65 -41.15 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.654 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.81 -35.4 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 63.34 110.781 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.58 -34.54 67.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.093 0.473 . . . . 73.04 110.105 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.623 HD12 HD12 ' A' ' 39' ' ' ILE . 46.9 tp -60.53 -52.71 64.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.6 -0.727 . . . . 75.51 110.863 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.7 pt-20 -70.07 -28.88 65.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 64.3 112.134 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.7 mt -84.09 -34.04 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.098 0.407 . . . . 72.31 112.098 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -101.82 -45.92 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.103 0.408 . . . . 72.51 112.103 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.623 HD12 HD12 ' A' ' 35' ' ' LEU . 57.2 mt -94.57 -33.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 75.11 111.545 -173.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.475 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 89.1 m-85 -122.0 54.26 5.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 121.118 -0.233 . . . . 73.34 111.309 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.21 -56.27 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 121.953 1.769 . . . . 61.52 112.978 -170.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -105.0 -2.65 24.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 64.33 111.132 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 56' ' ' LEU . 37.3 pt -119.6 12.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.284 -0.416 . . . . 63.43 111.672 -173.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -67.14 -14.17 63.34 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.048 -0.596 . . . . 74.23 112.858 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p -89.38 -0.79 57.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.847 0.356 . . . . 74.12 111.098 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -108.57 105.59 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 74.02 111.044 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.93 164.94 20.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 42.42 110.232 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.69 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 16.5 tt -73.28 -10.7 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.403 -0.362 . . . . 64.2 111.685 -173.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -51.27 -44.34 61.78 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.412 -0.588 . . . . 74.2 109.412 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.12 82.66 1.96 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.67 -0.863 . . . . 72.51 108.67 175.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -85.86 128.1 34.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.501 -0.772 . . . . 73.05 108.996 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -90.0 169.52 11.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.074 -0.512 . . . . 73.21 111.683 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -73.81 -162.31 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.553 -0.749 . . . . 74.25 111.912 -178.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 13.8 m -64.22 16.73 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.697 0.999 . . . . 73.11 113.697 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' THR . 35.3 m-70 -73.07 -31.11 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.23 -0.656 . . . . 73.13 109.23 175.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.819 ' HB2' HG21 ' A' ' 43' ' ' ILE . 4.6 pp -77.11 -14.64 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.456 -0.793 . . . . 75.13 110.518 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.619 HD12 HE22 ' A' ' 76' ' ' GLN . 2.0 tt -66.91 -28.97 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 64.32 111.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.741 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.43 -56.52 21.71 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.318 0.488 . . . . 75.24 112.318 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.741 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -60.94 -27.18 84.39 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.066 1.844 . . . . 54.02 113.2 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 63' ' ' VAL . 43.6 mm -71.49 -24.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.449 0.643 . . . . 52.41 110.114 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 9.4 tmtt? -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.573 -0.74 . . . . 64.0 110.352 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -69.17 -46.74 66.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.437 -0.347 . . . . 64.21 110.969 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 60' ' ' ILE . 11.4 p -70.16 -28.27 35.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 65.34 110.051 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 3.3 t70 -58.16 -57.61 12.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.658 -0.701 . . . . 74.2 110.703 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -72.79 -19.25 61.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 62.55 111.015 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -66.94 -15.71 63.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.875 -0.602 . . . . 74.51 111.143 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.53 -16.6 5.38 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.565 -0.826 . . . . 50.22 113.004 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 8.8 mmpt? -97.81 30.69 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.241 0.543 . . . . 75.23 110.194 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.6 p80 -48.41 -48.04 37.34 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.637 -1.165 . . . . 71.33 112.749 -176.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -72.56 -35.46 67.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 73.44 110.853 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.466 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 40.9 t -68.51 -41.97 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.124 -0.489 . . . . 64.13 110.331 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.09 91.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.618 . . . . 73.34 110.958 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.7 mm-40 -59.62 -45.03 93.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.232 -0.44 . . . . 63.03 111.093 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -58.23 -32.9 68.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.724 -0.671 . . . . 71.54 111.367 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 79' ' ' VAL . 95.3 mt -65.9 -43.5 88.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.63 -0.259 . . . . 75.13 110.448 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.619 HE22 HD12 ' A' ' 57' ' ' LEU . 2.7 mt-30 -61.8 -46.56 89.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.576 0.703 . . . . 75.41 109.697 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -20.39 65.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.283 -1.326 . . . . 74.01 111.589 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 82' ' ' ILE . 98.6 mtt180 -83.09 -41.55 18.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.601 -0.272 . . . . 74.44 110.3 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 75' ' ' LEU . 94.7 t -60.79 -41.31 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 72.12 110.754 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 31.4 p -60.27 -40.01 88.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 74.43 110.628 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.32 92.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.668 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.615 HG12 ' HE1' ' A' ' 16' ' ' TRP . 76.5 mt -59.79 -40.99 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.964 -0.562 . . . . 63.41 110.294 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 mmm -66.28 -34.66 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 73.33 111.283 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 80' ' ' THR . 9.3 mmm180 -65.69 -34.16 77.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.381 . . . . 70.24 110.061 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 5.9 t80 -73.59 -30.52 63.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 63.54 109.716 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.7 85.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 72.31 110.246 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 83' ' ' MET . 94.6 t -69.02 -27.02 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 33.2 110.574 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 85' ' ' TYR . 32.2 tt0 -57.35 -42.22 81.6 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.336 175.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.7 -15.82 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 54.23 109.983 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t70 44.03 76.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.718 1.207 . . . . 54.42 113.345 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -111.21 7.83 21.36 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.479 0.657 . . . . 73.41 109.688 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 pt -120.09 -39.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.386 -0.825 . . . . 75.45 111.897 -175.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 61.25 24.1 14.25 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.015 0.912 . . . . 73.4 110.868 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.4 m -147.49 137.97 23.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.872 -0.604 . . . . 60.12 110.082 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -112.74 86.37 8.63 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 116.361 -0.381 . . . . 74.31 111.243 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.45 0.94 9.62 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.583 2.189 . . . . 50.52 111.796 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.807 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . -104.0 6.31 36.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.686 -0.688 . . . . 34.22 111.106 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -68.37 -47.56 67.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.116 -0.493 . . . . 53.53 110.194 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -124.31 30.35 6.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 72.13 109.438 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.807 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.6 tmt? -58.09 -53.89 53.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.308 -0.86 . . . . 54.2 109.855 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.34 90.42 3.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.694 -0.684 . . . . 72.24 109.316 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.91 -176.91 50.06 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.698 -0.683 . . . . 73.03 113.081 -175.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.42 89.14 5.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.176 0.513 . . . . 72.02 111.132 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 pp -103.6 -4.85 23.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 62.04 110.773 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.0 t -90.14 -13.89 34.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.869 -0.605 . . . . 73.2 110.446 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.0 p -90.24 -169.14 2.32 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.195 0.522 . . . . 61.0 110.58 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.9 m -131.97 -69.49 0.6 Allowed 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.783 -0.644 . . . . 72.3 109.825 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -102.28 101.47 11.75 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.282 0.563 . . . . 75.31 110.764 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -101.59 -19.18 15.57 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.255 -0.884 . . . . 53.45 109.838 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -85.55 131.95 34.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.092 -0.958 . . . . 64.33 109.49 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -115.96 168.06 10.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.797 0.332 . . . . 73.04 110.808 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.7 115.21 18.05 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.072 -0.513 . . . . 74.32 110.397 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HG2' ' HG3' ' A' ' 115' ' ' GLU . 61.4 Cg_endo -74.23 -178.81 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.698 2.265 . . . . 74.32 111.257 174.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.61 -51.65 9.59 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.911 -0.316 . . . . 74.32 110.425 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.492 ' HG3' ' HG2' ' A' ' 113' ' ' PRO . 26.0 mt-10 61.52 19.6 10.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.705 -0.679 . . . . 63.33 111.329 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.03 11.36 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.501 0.667 . . . . 63.53 109.335 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -108.08 110.13 21.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.128 -0.942 . . . . 74.42 109.509 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -84.53 98.31 10.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.029 -0.36 . . . . 62.42 110.029 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -111.82 117.89 34.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.076 -0.511 . . . . 75.04 110.546 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -93.05 112.79 24.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.841 -0.618 . . . . 62.44 110.072 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.781 -0.628 . . . . 72.43 109.907 177.464 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.667 0.27 . . . . 71.52 110.337 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.883 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -74.7 139.13 43.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.825 -0.435 . . . . 75.22 109.825 174.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -68.79 124.43 23.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.085 -0.507 . . . . 65.31 111.482 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 m -124.98 35.0 4.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.558 -0.746 . . . . 64.11 109.235 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.98 51.7 3.54 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.389 -0.823 . . . . 71.42 113.351 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.57 133.38 44.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.672 -0.862 . . . . 65.34 108.672 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -88.37 98.17 11.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.174 0.511 . . . . 75.11 111.32 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -116.52 -168.86 1.52 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 53.42 109.753 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.504 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 53.5 t80 -69.58 -28.15 65.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.463 -0.569 . . . . 71.41 109.463 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.35 -45.3 73.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.725 -0.67 . . . . 64.21 110.416 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.72 -48.29 66.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 72.42 112.745 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.703 HD12 HD13 ' A' ' 48' ' ' ILE . 56.4 mt -69.71 -41.87 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 74.32 111.383 -175.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 60.41 110.414 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 50.3 ttt180 -69.13 -36.61 77.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.232 -0.894 . . . . 63.42 111.08 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -58.87 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.97 0.794 . . . . 73.01 111.693 -173.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -74.42 -24.88 59.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.464 -0.335 . . . . 73.02 111.2 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.93 -29.97 69.99 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 122.299 -0.251 . . . . 73.52 111.238 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 98.4 mt-10 -68.58 -18.22 64.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.761 0.315 . . . . 64.32 111.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 m -75.87 -15.38 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 62.22 110.375 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 8.0 t30 -95.44 -2.27 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.539 . . . . 72.11 109.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 71.7 mmtt 75.13 156.79 0.18 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.334 -0.848 . . . . 51.51 112.806 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 67.95 114.88 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 113.986 -1.461 . . . . 63.43 112.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 p90 -139.69 -55.19 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.297 -1.319 . . . . 74.32 109.589 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 39.7 t 58.76 115.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.245 0.966 . . . . 63.1 112.552 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.883 ' HG2' ' HB2' ' A' ' 2' ' ' GLU . 2.1 mp0 -68.93 -29.63 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 73.43 110.769 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.16 -48.82 32.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.398 0.618 . . . . 75.51 110.291 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -70.5 -24.63 62.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.753 . . . . 74.15 109.918 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HG3' HD13 ' A' ' 32' ' ' LEU . 18.4 tpt180 -46.51 -43.94 17.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.745 0.818 . . . . 65.55 112.83 -175.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 m -55.59 -32.63 63.23 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.189 0.519 . . . . 54.04 111.357 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 7.1 mpt_? -81.24 -37.79 28.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 64.22 109.945 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -65.24 -38.5 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 74.42 110.697 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD13 ' HG3' ' A' ' 28' ' ' ARG . 6.4 mp -62.95 -37.94 89.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 72.4 111.45 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -30.37 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.433 0.635 . . . . 71.23 109.475 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -69.73 -47.61 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.253 -0.885 . . . . 71.31 111.226 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 40' ' ' PHE . 3.2 pp -68.65 -20.94 64.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.271 0.471 . . . . 72.41 112.271 -175.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 50.8 mt-10 -70.35 -32.11 69.67 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.716 0.293 . . . . 62.42 111.272 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -103.31 -33.91 8.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.099 0.407 . . . . 70.02 112.099 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -96.26 -33.18 12.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.843 0.312 . . . . 72.1 111.843 -172.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.548 HG12 ' HA ' ' A' ' 35' ' ' LEU . 34.4 mm -97.22 -61.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.64 -0.424 . . . . 74.33 111.215 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 4.0 p90 -131.35 84.36 56.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.158 0.504 . . . . 74.23 111.425 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 12.6 Cg_exo -70.61 -56.28 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.789 2.326 . . . . 73.44 113.05 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -103.51 -9.79 19.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.87 -0.332 . . . . 72.22 111.564 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' HB2' ' A' ' 40' ' ' PHE . 28.8 pt -104.33 3.72 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.975 0.416 . . . . 71.42 110.857 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA3' ' HD1' ' A' ' 40' ' ' PHE . . . -87.35 4.31 86.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.935 -0.65 . . . . 54.02 111.758 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -96.33 12.77 29.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 74.21 110.533 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -126.26 148.69 49.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 71.42 110.073 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -82.22 153.1 26.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.126 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.703 HD13 HD12 ' A' ' 12' ' ' ILE . 18.9 tt -71.24 -13.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.548 . . . . 71.34 111.007 -174.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.72 -24.39 67.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 74.41 110.278 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -127.35 78.55 1.82 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.605 0.717 . . . . 74.32 109.361 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -88.59 161.35 16.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.048 -0.978 . . . . 65.3 109.348 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' H ' HD13 ' A' ' 51' ' ' LEU . 74.3 mmtt -122.58 161.81 23.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.008 0.433 . . . . 74.25 111.081 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.444 ' HB ' ' H ' ' A' ' 54' ' ' SER . 2.3 p -75.71 -162.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.411 -0.813 . . . . 75.14 111.186 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.444 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.9 m -52.03 -12.27 0.21 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.678 0.992 . . . . 71.12 113.678 -174.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HD2' ' OG1' ' A' ' 53' ' ' THR . 82.6 m-70 -58.24 -36.93 73.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.768 0.318 . . . . 71.22 110.315 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -74.3 -15.53 60.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.934 0.397 . . . . 74.2 111.131 -177.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.37 -20.16 55.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 51.33 110.935 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.73 -53.73 61.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 111.886 0.328 . . . . 64.41 111.886 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 54.9 Cg_exo -55.51 -44.85 44.36 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.159 1.906 . . . . 60.13 112.892 176.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.9 mm -67.96 -30.35 47.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.273 0.559 . . . . 74.41 110.56 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 61' ' ' LYS . 15.8 tptp -69.65 -25.77 64.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.753 . . . . 55.01 110.05 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.52 -49.65 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.914 -0.584 . . . . 70.14 110.056 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.35 -40.78 89.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.134 0.492 . . . . 74.43 109.968 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.602 ' HA ' ' O ' ' A' ' 68' ' ' LYS . 1.1 t70 -55.65 -58.32 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.086 -0.961 . . . . 71.52 111.48 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 m -78.41 -19.84 52.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.07 -0.514 . . . . 54.23 111.755 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -71.19 -32.2 68.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 61.2 110.392 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.09 -48.63 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.166 -1.016 . . . . 53.13 113.315 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.643 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -90.66 80.82 5.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.666 0.746 . . . . 73.42 111.61 -175.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -73.06 -53.48 10.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.452 -1.249 . . . . 71.04 111.469 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -61.35 -48.1 82.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.147 -0.933 . . . . 71.13 111.909 -168.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 68' ' ' LYS . 26.8 m -63.62 -36.7 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 73.35 111.42 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . . . -67.15 -43.94 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 42.41 110.677 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.519 HE22 HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -62.49 -45.04 94.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.557 . . . . 64.5 110.797 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -62.55 -32.31 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.78 -0.646 . . . . 73.11 111.592 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 71' ' ' VAL . 5.4 mp -73.3 -49.37 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 64.51 111.396 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.509 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 20.8 pt20 -61.25 -43.31 99.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 71.52 111.276 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.14 -29.62 68.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.898 0.38 . . . . 75.21 111.042 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -69.28 -22.36 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.05 111.011 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.17 -35.06 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 62.4 110.943 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.3 p -60.98 -41.55 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 51.05 110.745 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -40.66 83.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.266 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.32 -45.63 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 54.53 110.514 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.532 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 10.7 mmt -58.81 -38.55 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 63.41 110.676 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -61.0 -45.67 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.35 110.937 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.17 -30.86 69.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.342 . . . . 73.14 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.02 72.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.855 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG21 ' ND2' ' A' ' 95' ' ' ASN . 99.8 t -79.04 -37.68 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 72.31 110.334 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 71.34 109.614 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.18 -7.22 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 63.1 110.373 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.04 65.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.005 -0.998 . . . . 51.25 111.978 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -109.56 -10.2 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 75.22 110.518 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.0 pt -122.45 169.53 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 42.33 109.975 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -103.67 -48.75 3.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.037 0.446 . . . . 74.12 111.174 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.536 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 10.0 m -98.53 166.06 11.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 73.42 111.212 -173.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.484 ' ND2' HG21 ' A' ' 87' ' ' VAL . 15.5 m120 -110.25 86.14 4.98 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.553 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 94' ' ' SER . 18.0 Cg_endo -94.38 -169.42 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.315 2.677 . . . . 73.52 112.455 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 83' ' ' MET . . . 58.49 82.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.433 -0.803 . . . . 62.24 112.211 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -138.4 -47.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.459 . . . . 61.21 109.952 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.43 32.5 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.813 0.816 . . . . 72.34 110.388 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -120.56 9.59 10.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 74.13 109.671 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.91 -177.87 6.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.059 -0.973 . . . . 44.54 109.585 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.09 -131.04 6.63 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.715 -0.755 . . . . 73.31 111.958 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.15 -27.73 9.91 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.602 -0.148 . . . . 61.32 110.602 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.728 ' HG ' ' H ' ' A' ' 105' ' ' SER . 0.5 OUTLIER 38.69 -79.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.702 1.601 . . . . 71.12 114.365 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.728 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 18.1 m -80.23 -5.61 56.46 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.419 -0.355 . . . . 65.5 111.74 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -113.35 115.74 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.771 0.319 . . . . 72.43 110.427 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.4 p -138.85 130.08 26.93 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.825 -0.625 . . . . 74.12 110.921 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.467 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -142.42 139.66 31.71 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.157 -0.683 . . . . 72.13 109.157 177.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -135.03 -26.74 1.29 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.311 -0.404 . . . . 73.14 111.545 -177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -74.86 163.35 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.692 -0.231 . . . . 74.3 110.791 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.4 m170 72.07 97.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.867 0.729 . . . . 72.4 112.123 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -118.21 93.98 45.94 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.082 -0.71 . . . . 71.22 109.082 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.83 128.31 10.76 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.76 2.307 . . . . 63.14 111.923 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.09 -43.13 99.37 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.561 -0.903 . . . . 74.14 108.561 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 55.35 34.96 23.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 114.745 -1.116 . . . . 73.32 111.128 172.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -105.44 104.89 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 74.12 110.109 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -116.24 102.55 9.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.229 -0.656 . . . . 72.31 109.229 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -87.56 133.31 33.81 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.697 -0.683 . . . . 54.32 109.971 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.44 108.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.107 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -122.08 104.01 9.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.044 -176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.631 -0.7 . . . . 71.53 109.982 177.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.598 -0.519 . . . . 73.41 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 66.91 84.9 0.15 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.569 0.699 . . . . 62.24 109.398 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -81.82 115.02 20.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.311 -0.859 . . . . 75.0 110.632 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.434 ' HA ' HG22 ' A' ' 8' ' ' THR . 1.8 t -133.57 103.72 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 75.45 109.572 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.63 -109.85 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.027 -0.606 . . . . 62.25 111.599 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.76 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.386 0.612 . . . . 71.21 110.242 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -145.3 138.09 26.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.206 -0.906 . . . . 75.04 109.461 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.764 ' H ' ' HB ' ' A' ' 11' ' ' THR . 77.8 p -129.41 -164.57 1.42 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.342 -0.845 . . . . 54.11 109.385 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.746 ' HA ' HD12 ' A' ' 48' ' ' ILE . 47.5 t80 -63.67 -49.51 72.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 73.14 110.747 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -75.88 -35.76 59.74 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 116.414 -0.357 . . . . 62.4 110.367 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.764 ' HB ' ' H ' ' A' ' 8' ' ' THR . 56.1 m -62.14 -35.42 78.7 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.836 0.68 . . . . 64.44 112.836 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.717 HD12 HD13 ' A' ' 48' ' ' ILE . 58.2 mt -72.37 -37.24 57.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 121.924 -0.485 . . . . 72.44 110.446 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.58 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.081 0.467 . . . . 64.51 110.0 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.796 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 4.7 tpp180 -52.31 -31.49 33.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.302 1.041 . . . . 55.41 112.152 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.71 -57.19 11.74 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.368 -0.833 . . . . 75.53 109.966 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.652 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 53.8 p-90 -81.48 -30.14 33.43 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.078 0.466 . . . . 73.54 111.091 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.796 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 17.1 t-160 -62.54 -27.9 69.49 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.905 0.705 . . . . 74.44 112.905 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.642 ' OE1' ' HD2' ' A' ' 14' ' ' ARG . 12.2 tp10 -65.49 -3.51 4.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.955 0.407 . . . . 51.14 111.681 -176.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -66.29 -28.54 68.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.482 -0.326 . . . . 44.22 111.532 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 69.59 156.92 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.913 0.485 . . . . 70.31 111.161 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -89.26 -40.94 12.48 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.158 0.429 . . . . 73.31 112.158 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -159.95 165.67 31.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.573 -0.529 . . . . 73.03 109.573 -174.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.46 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 11.4 m-90 -62.18 90.73 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.471 0.653 . . . . 70.11 111.507 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.6 m -163.27 38.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.953 -1.128 . . . . 65.3 107.953 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -49.9 -53.2 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.881 -1.054 . . . . 62.23 111.891 -169.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.17 -46.39 75.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.847 -0.615 . . . . 71.12 111.447 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -75.73 -42.66 49.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.843 -0.617 . . . . 72.24 111.589 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.19 -24.61 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.545 0.202 . . . . 53.24 111.545 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -70.58 -41.97 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 72.21 110.563 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -82.27 -33.99 28.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.589 -0.278 . . . . 51.01 110.874 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 69.6 t -65.51 -38.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.615 -0.266 . . . . 65.04 111.01 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.73 -24.19 8.23 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.615 0.572 . . . . 74.32 111.927 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 33' ' ' ARG . 35.9 ttt180 -50.75 -31.05 15.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 64.15 111.7 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 31' ' ' VAL . 3.2 p90 -54.75 -25.86 30.52 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.898 -0.592 . . . . 75.52 111.614 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD12 HG13 ' A' ' 39' ' ' ILE . 41.7 tp -56.25 -42.82 77.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.779 0.323 . . . . 71.31 111.319 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.78 -32.66 74.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 74.42 111.68 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -103.47 -41.07 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.359 0.504 . . . . 60.21 112.359 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -76.97 -37.0 56.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.37 -0.377 . . . . 73.43 111.097 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.514 HD11 ' HG ' ' A' ' 75' ' ' LEU . 48.0 mm -99.2 -29.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 74.02 111.269 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.417 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 64.0 m-85 -120.36 61.22 8.11 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.841 -0.344 . . . . 75.12 111.434 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.4 -56.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.342 1.361 . . . . 72.05 112.396 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -105.97 -21.04 13.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.273 0.558 . . . . 63.35 110.41 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.3 pt -94.09 16.22 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.619 -0.719 . . . . 74.33 112.161 -171.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -62.5 -9.21 23.56 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.248 -0.501 . . . . 75.32 113.403 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -87.19 7.49 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.786 0.327 . . . . 64.13 111.01 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -73.84 143.26 45.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.499 . . . . 62.53 111.778 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -99.65 134.66 42.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.211 -0.904 . . . . 73.51 109.189 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 9' ' ' PHE . 12.8 tt -75.72 -21.62 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.703 0.764 . . . . 75.42 109.806 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.718 ' HA ' ' HE2' ' A' ' 91' ' ' TYR . 7.0 ttp85 -78.33 -20.55 51.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.398 -0.819 . . . . 70.34 109.639 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -138.05 80.12 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.96 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 52' ' ' LYS . 1.4 tm? -82.31 138.34 34.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.449 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HD3' ' NE2' ' A' ' 55' ' ' HIS . 89.7 mttt -104.08 171.83 7.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.34 0.591 . . . . 74.03 112.572 -172.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -73.0 -172.69 1.09 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.597 -0.729 . . . . 63.42 111.348 -177.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.693 ' H ' HG22 ' A' ' 53' ' ' THR . 4.5 p -71.99 16.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.89 1.07 . . . . 74.05 113.89 -169.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 52' ' ' LYS . 34.4 p80 -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.041 -0.664 . . . . 71.01 109.591 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' ' 43' ' ' ILE . 4.6 pp -76.9 -15.18 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.584 -0.735 . . . . 62.14 110.837 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -77.49 -13.49 59.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 75.35 111.226 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 59' ' ' PRO . . . -48.54 -54.41 26.72 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.047 0.758 . . . . 52.05 113.047 -177.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -61.27 -29.01 85.5 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.905 1.737 . . . . 64.14 113.426 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 59' ' ' PRO . 3.4 mp -72.29 -25.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.317 0.579 . . . . 74.41 109.454 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.743 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 1.3 mmmp? -69.98 -25.64 63.71 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.625 0.726 . . . . 73.23 110.297 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.41 -49.03 79.37 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.55 -1.205 . . . . 63.41 110.56 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 68' ' ' LYS . 10.1 p -77.93 -28.51 15.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.215 0.531 . . . . 71.22 110.236 177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.743 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -55.97 -52.28 64.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 43.51 110.859 175.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.6 m -73.34 -14.57 61.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 64.01 111.305 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.9 m -71.04 -18.44 62.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.436 -0.347 . . . . 61.42 110.979 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.28 -1.88 14.31 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.577 -0.821 . . . . 53.24 113.039 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.789 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.8 mmpt? -105.14 24.23 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.327 0.584 . . . . 75.11 110.442 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -59.34 -25.45 64.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.093 -0.958 . . . . 74.14 112.92 -175.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.8 t70 -61.65 -54.03 48.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.793 0.27 . . . . 61.24 111.213 -176.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.9 m -69.13 -34.48 63.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 54.42 110.899 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.93 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.073 0.463 . . . . 74.5 110.271 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 16.9 tt0 -62.53 -45.05 94.72 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.668 -0.696 . . . . 72.22 110.659 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 24.5 mmt180 -49.24 -42.4 40.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.183 -0.917 . . . . 71.42 111.031 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 39' ' ' ILE . 4.3 mm? -73.57 -48.14 35.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 74.01 111.97 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -66.15 -35.24 79.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.192 0.52 . . . . 65.42 111.293 -176.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -65.16 -34.78 79.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.681 -0.69 . . . . 64.14 109.945 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' O ' HG13 ' A' ' 82' ' ' ILE . 8.2 tpp180 -75.55 -30.82 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.051 -0.522 . . . . 52.32 110.471 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 75' ' ' LEU . 84.0 t -58.83 -42.56 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 121.315 0.579 . . . . 51.22 109.522 172.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.4 m -65.7 -34.25 77.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.343 -0.844 . . . . 65.1 110.462 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . . . -67.63 -34.32 76.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.733 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.652 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 77.3 mt -61.5 -42.21 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 72.43 109.958 175.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.595 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.7 mmt -56.64 -34.65 67.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 72.44 111.07 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -57.43 -45.1 85.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 74.51 111.047 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -77.32 -28.78 53.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 74.33 110.905 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.29 90.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.116 0.484 . . . . 72.43 110.413 173.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 83' ' ' MET . 97.7 t -60.62 -28.58 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.922 -0.581 . . . . 74.23 110.874 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -60.01 -32.02 70.48 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.006 0.431 . . . . 72.24 110.756 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.648 ' HB3' ' HD1' ' A' ' 91' ' ' TYR . 0.2 OUTLIER -88.71 -6.37 57.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.07 -0.513 . . . . 75.33 110.806 -177.754 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 63.97 10.89 5.65 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.522 -0.763 . . . . 63.53 112.999 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.718 ' HE2' ' HA ' ' A' ' 49' ' ' ARG . 43.2 p90 -78.34 -26.81 46.92 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.129 -0.628 . . . . 65.44 111.617 -173.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 91' ' ' TYR . 11.3 pt -89.81 -28.51 5.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 120.987 -0.285 . . . . 74.22 111.431 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 70.27 -60.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.908 0.755 . . . . 52.12 112.068 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 t -83.64 175.03 10.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.752 0.311 . . . . 72.42 110.399 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -115.59 87.52 17.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 53.22 110.397 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -79.45 -175.85 2.95 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.554 2.169 . . . . 71.13 111.89 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.7 18.84 7.56 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.529 -0.759 . . . . 65.31 111.622 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 p -67.71 -26.85 66.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.103 -0.499 . . . . 42.11 111.763 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -83.29 -12.01 57.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 73.23 111.217 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.0 mmt -57.16 -51.23 70.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.173 0.511 . . . . 70.31 110.954 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.03 16.49 17.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.955 -0.566 . . . . 62.03 110.808 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.98 4.73 6.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.637 -0.792 . . . . 61.33 112.127 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.74 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.647 0.24 . . . . 73.35 111.647 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 1.6 pt? -138.12 104.26 5.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.393 0.616 . . . . 74.05 111.242 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -148.67 -70.11 0.21 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.37 -0.974 . . . . 33.31 108.37 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -101.05 93.77 5.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.141 -0.689 . . . . 74.05 109.141 170.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.4 p -82.25 119.93 24.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.409 0.623 . . . . 75.24 112.341 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -85.79 147.31 26.37 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.213 -0.903 . . . . 74.24 109.066 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.67 -51.63 3.85 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.784 -0.644 . . . . 73.1 110.394 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.34 90.64 8.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.566 -0.531 . . . . 72.32 109.566 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.27 93.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.755 0.788 . . . . 72.45 110.889 173.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.468 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 75.8 m-85 -124.2 128.49 25.02 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.577 -0.738 . . . . 72.11 110.268 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.497 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 22.6 Cg_exo -64.64 -77.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.858 2.372 . . . . 71.43 112.734 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 4.1 tt 170.07 80.82 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.27 -1.011 . . . . 75.04 108.27 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -47.91 110.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.609 -0.723 . . . . 73.12 110.678 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -88.3 101.37 13.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.649 . . . . 70.44 110.318 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -97.33 159.91 14.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 72.15 111.025 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -133.03 163.49 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 74.33 109.823 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -80.34 79.04 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.153 0.501 . . . . 73.13 110.15 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -150.17 165.96 31.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.081 -0.963 . . . . 74.53 109.284 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 22.0 p80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.701 -0.666 . . . . 63.21 109.567 178.764 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.289 -0.263 . . . . 63.51 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.28 -51.19 21.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 74.41 110.661 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -68.41 117.94 10.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.124 -0.489 . . . . 61.24 110.502 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 t -126.13 -4.35 6.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.854 -0.612 . . . . 43.22 110.058 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 151.01 20.8 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.742 -0.742 . . . . 41.22 112.214 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 68.48 90.89 0.09 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 123.269 0.627 . . . . 73.01 111.507 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.515 ' HE2' ' HG3' ' A' ' 49' ' ' ARG . 9.6 p90 -100.09 74.94 1.81 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.305 1.05 . . . . 70.42 109.99 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -91.95 165.34 13.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.375 -0.83 . . . . 73.34 109.997 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 13.2 p90 -66.8 -24.58 66.2 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.533 -0.543 . . . . 73.52 109.533 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.69 -44.37 66.21 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.566 -0.743 . . . . 74.45 110.862 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.31 -41.71 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 75.32 110.543 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.4 HG13 HD12 ' A' ' 48' ' ' ILE . 51.7 mm -68.42 -38.22 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 71.4 110.431 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.26 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 70.5 111.374 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -65.14 -28.95 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.487 -0.324 . . . . 73.23 110.927 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -59.66 4.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.547 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HE1' HD13 ' A' ' 82' ' ' ILE . 39.4 p-90 -80.1 -29.33 39.01 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.871 -0.332 . . . . 72.24 111.616 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.44 -28.64 68.05 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.362 0.504 . . . . 65.01 112.362 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG2' ' HD3' ' A' ' 28' ' ' ARG . 19.2 tt0 -72.29 -7.41 49.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.698 0.285 . . . . 62.12 111.725 -173.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 t -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 64.01 110.501 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.46 -176.95 0.21 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.77 -0.65 . . . . 75.34 111.715 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -106.27 -46.01 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.402 -0.962 . . . . 65.43 108.402 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 88.78 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.162 -1.421 . . . . 73.44 107.162 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -52.36 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.133 0.896 . . . . 70.23 112.672 -169.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.445 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 15.0 m -156.1 137.23 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 62.32 109.284 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.2 pm0 -69.27 -26.79 64.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.343 -0.39 . . . . 62.24 111.722 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.89 -30.78 67.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.969 0.414 . . . . 70.12 110.309 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 38.4 m170 -71.7 -28.34 63.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 71.32 110.723 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 83.6 mtt180 -56.53 -45.71 81.0 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 123.418 0.449 . . . . 73.32 110.702 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -62.92 -33.64 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 71.03 111.036 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -76.93 -48.9 16.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.526 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.02 -16.46 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 74.45 111.454 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 1.3 tm? -66.3 -47.12 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.389 -0.597 . . . . 75.3 109.389 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -29.87 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.075 -0.511 . . . . 73.52 109.945 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -64.57 -37.79 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 74.14 109.873 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.543 HD12 ' HB ' ' A' ' 39' ' ' ILE . 49.0 tp -58.63 -46.34 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.365 -0.834 . . . . 71.22 110.524 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.35 -34.38 68.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 73.44 112.197 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -95.35 -41.39 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.536 0.569 . . . . 73.52 112.536 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -96.09 -11.81 25.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.811 0.339 . . . . 75.51 111.593 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 35' ' ' LEU . 46.6 mt -135.25 122.56 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-O 121.512 0.672 . . . . 73.21 111.105 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.507 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.1 m-85 71.42 54.12 0.38 Allowed Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 114.382 -1.281 . . . . 75.23 112.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 40' ' ' PHE . 14.9 Cg_exo -68.44 -51.68 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 121.922 1.748 . . . . 74.12 112.459 -176.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -103.12 -2.02 28.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 63.22 111.926 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 56' ' ' LEU . 33.0 pt -127.8 11.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.763 0.653 . . . . 54.01 112.763 -170.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -97.14 10.16 65.55 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.078 -1.058 . . . . 44.14 113.519 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 p -107.72 4.36 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.081 0.4 . . . . 73.13 112.081 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -99.24 148.47 24.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 71.23 112.188 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.8 163.73 21.14 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.512 -0.767 . . . . 64.4 110.252 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' A' ' 86' ' ' ALA . 18.7 tt -75.51 -28.31 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 111.95 0.352 . . . . 61.11 111.95 -175.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG3' ' HE2' ' A' ' 7' ' ' TYR . 46.2 mtt180 -72.52 -21.33 61.2 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.01 -0.276 . . . . 65.44 111.338 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -114.11 72.26 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.877 0.846 . . . . 60.01 109.481 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB3' ' HG2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -90.88 137.71 32.15 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.725 -1.125 . . . . 74.1 109.194 -179.451 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.901 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.6 mmtp -85.37 164.94 17.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.94 0.4 . . . . 70.4 110.563 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -90.9 -161.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.021 -0.536 . . . . 74.43 109.614 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.642 ' H ' HG22 ' A' ' 53' ' ' THR . 16.1 m -59.29 -0.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.129 0.789 . . . . 71.34 113.129 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HD2' ' HB ' ' A' ' 53' ' ' THR . 42.0 m-70 -58.32 -34.86 71.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.033 0.444 . . . . 71.54 110.195 174.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.0 pp -77.37 -14.71 59.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 64.43 111.162 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HB ' ' A' ' 60' ' ' ILE . 64.5 tp -78.22 -18.94 54.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 64.04 110.911 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -54.61 -53.05 64.46 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.243 0.46 . . . . 75.23 112.243 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.3 Cg_exo -61.63 -35.32 81.47 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.119 1.88 . . . . 72.32 112.634 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.519 ' HB ' HD12 ' A' ' 57' ' ' LEU . 45.2 mm -71.59 -24.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.471 0.653 . . . . 74.51 109.976 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 5.0 tmtm? -65.71 -26.51 67.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.254 -0.885 . . . . 73.53 109.934 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.84 -28.84 67.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.941 -0.572 . . . . 73.12 110.268 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.9 -39.92 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 73.14 111.031 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 61' ' ' LYS . 2.8 p30 -75.51 -40.17 57.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.69 -0.404 . . . . 63.23 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.9 m -73.8 -52.86 11.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.815 0.34 . . . . 72.45 111.389 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -91.02 15.6 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.759 -0.201 . . . . 71.01 111.479 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.46 -132.17 1.37 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.319 -0.944 . . . . 64.23 113.036 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.576 ' N ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -88.18 91.81 8.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.665 0.269 . . . . 75.05 110.936 -175.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 64' ' ' ASP . 5.2 p-80 -66.48 -26.64 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 74.31 110.768 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 10.5 t70 -64.39 -52.3 58.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 72.25 110.048 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.4 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.9 t -73.52 -39.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.406 -0.816 . . . . 72.11 111.345 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.35 77.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.629 0.233 . . . . 70.34 111.629 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.327 0.584 . . . . 71.55 110.182 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 48.1 mtt180 -58.0 -44.05 86.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.544 -0.753 . . . . 70.05 110.086 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 83.7 mt -72.33 -30.22 64.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.394 -0.821 . . . . 64.53 112.695 -174.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.33 -36.84 68.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.536 -0.466 . . . . 71.14 111.148 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -56.76 -17.88 10.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.632 -0.713 . . . . 73.42 112.626 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 82' ' ' ILE . 17.0 ptt-85 -50.42 -34.21 23.69 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.223 0.453 . . . . 75.43 112.223 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HB ' ' SD ' ' A' ' 100' ' ' MET . 19.4 t -72.11 -33.61 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.414 -0.357 . . . . 74.14 110.676 -176.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.2 m -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.234 0.54 . . . . 73.42 109.936 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.49 ' O ' ' HD1' ' A' ' 85' ' ' TYR . . . -64.86 -45.1 87.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.893 -0.594 . . . . 73.51 109.899 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.429 HD13 ' HE1' ' A' ' 16' ' ' TRP . 35.8 mm -53.11 -44.82 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.969 -0.559 . . . . 74.42 110.254 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.675 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -58.05 -38.57 76.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.121 -0.945 . . . . 54.45 111.194 -177.135 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -70.37 -50.97 33.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 74.2 111.173 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.49 ' HD1' ' O ' ' A' ' 81' ' ' ALA . 65.1 m-85 -60.18 -30.37 69.31 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.974 0.416 . . . . 75.54 110.981 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -66.62 -35.29 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 62.41 111.306 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.82 -40.95 21.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.974 0.416 . . . . 74.22 110.089 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.66 -31.48 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 75.44 111.617 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -113.46 10.06 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.668 0.247 . . . . 64.13 111.668 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.27 73.06 0.41 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.594 0.59 . . . . 72.45 112.594 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -110.74 -45.11 3.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.672 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 94' ' ' SER . 25.6 pt -103.56 159.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.387 0.514 . . . . 74.12 112.387 -169.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -112.95 5.53 17.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.81 -0.632 . . . . 71.14 110.518 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.498 ' O ' HD12 ' A' ' 92' ' ' ILE . 33.7 t -154.55 154.29 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 62.24 109.807 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -119.73 85.21 32.81 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.816 0.341 . . . . 75.33 110.899 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.675 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 11.9 Cg_exo -72.17 -44.64 0.8 Allowed 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.835 2.356 . . . . 70.42 113.136 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.32 33.57 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -60.49 -43.28 97.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 51.0 110.213 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -101.71 -69.75 0.77 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.719 -0.673 . . . . 74.33 109.615 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.411 ' SD ' ' HB ' ' A' ' 79' ' ' VAL . 26.9 ttt 72.01 -54.31 0.68 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.932 0.77 . . . . 54.41 112.532 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.29 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.263 0.352 . . . . 5.21 111.842 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.51 -110.29 3.22 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.111 -0.566 . . . . 72.1 112.043 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.41 107.84 10.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.715 0.293 . . . . 52.15 110.654 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.42 -60.54 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.686 -0.688 . . . . 63.31 109.608 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.5 t -161.44 -59.45 0.05 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.239 -0.652 . . . . 73.23 109.239 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.3 p -135.7 116.49 14.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 73.34 110.131 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 p -83.76 -39.23 20.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.488 . . . . 74.11 109.954 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 108' ' ' LYS . 3.6 ttpt -131.62 129.98 41.56 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.537 -0.756 . . . . 72.33 109.88 176.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -157.28 -73.8 0.09 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.963 -0.384 . . . . 61.24 109.963 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 110' ' ' ARG . 34.7 ttt180 -168.16 123.4 0.98 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 73.31 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -144.62 -56.76 0.35 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.67 -0.696 . . . . 70.13 109.508 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -150.94 153.47 33.22 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.334 -0.848 . . . . 75.4 109.876 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.564 ' HG2' ' HB2' ' A' ' 116' ' ' HIS . 48.7 Cg_endo -69.77 -167.05 0.21 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.6 2.2 . . . . 55.33 112.532 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.498 HD12 ' HG2' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -78.8 -59.17 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 72.22 109.558 -177.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.498 ' HG2' HD12 ' A' ' 114' ' ' LEU . 56.8 mm-40 -117.54 101.11 8.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.832 -0.622 . . . . 72.31 111.048 -178.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.564 ' HB2' ' HG2' ' A' ' 113' ' ' PRO . 11.3 t60 -152.43 26.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.823 -0.806 . . . . 74.14 108.823 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -137.83 90.4 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.811 -1.086 . . . . 62.1 108.419 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -100.18 142.2 31.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.401 -0.818 . . . . 71.4 111.526 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -159.17 148.42 18.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.701 . . . . 73.04 110.485 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -167.34 142.47 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.292 -0.633 . . . . 71.33 109.292 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 39.6 m80 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.322 -0.847 . . . . 73.13 109.574 176.703 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 110.059 -0.349 . . . . 70.25 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.6 -49.58 75.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 64.25 111.057 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -126.28 96.75 4.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.095 -0.502 . . . . 74.14 109.939 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.5 p -130.39 107.64 9.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.264 -0.426 . . . . 62.14 110.856 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.458 ' HA3' ' OG1' ' A' ' 8' ' ' THR . . . -105.9 134.79 12.28 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.727 -0.749 . . . . 65.14 111.867 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.41 -49.97 8.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.775 0.322 . . . . 63.52 111.257 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -89.53 13.22 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 75.21 110.703 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.458 ' OG1' ' HA3' ' A' ' 5' ' ' GLY . 99.9 m -71.56 129.29 38.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 64.33 111.054 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.898 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.3 t80 -55.49 -48.42 74.61 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.988 0.423 . . . . 64.35 110.768 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.58 -32.94 67.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 73.43 111.349 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -70.83 -39.37 73.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 73.54 110.622 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.44 -33.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 73.12 110.144 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.81 69.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 61.21 111.107 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -66.5 -30.55 70.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 71.3 111.003 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -57.57 10.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.628 -0.715 . . . . 73.32 110.934 -174.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 56.4 p-90 -79.2 -35.13 42.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 73.01 111.788 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -69.07 -23.82 64.08 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.941 0.348 . . . . 71.02 111.941 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -52.7 -25.98 12.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.037 0.535 . . . . 65.23 111.585 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -58.84 -23.03 60.11 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.107 -0.497 . . . . 75.35 111.248 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -120.66 23.11 10.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.879 0.371 . . . . 54.34 111.342 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 47.7 mmtt -141.99 173.5 11.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.815 0.34 . . . . 73.31 111.237 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 7.8 mpt_? -125.63 160.89 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 64.0 109.238 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 m-90 -68.92 89.5 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.439 0.462 . . . . 72.05 111.573 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 m -143.99 100.29 3.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.616 -0.72 . . . . 64.34 109.55 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.72 -30.57 70.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.332 -0.395 . . . . 71.31 111.835 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.32 -44.23 96.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.02 0.438 . . . . 74.15 110.324 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -64.32 -41.76 96.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.758 -0.656 . . . . 64.13 109.254 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 64.4 ttt-85 -57.58 -47.4 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 73.25 110.869 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -65.04 -36.99 86.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.106 0.41 . . . . 70.44 112.106 -176.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 30' ' ' ARG . 67.1 mtt180 -81.28 -43.37 19.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.617 0.229 . . . . 74.33 111.617 -176.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.28 -26.81 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 35.31 110.239 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 10.6 tt -57.73 -37.34 73.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 73.44 110.549 176.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.85 -41.96 82.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 71.23 110.04 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -63.8 -44.02 94.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.34 109.777 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD12 HG13 ' A' ' 39' ' ' ILE . 51.5 tp -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.408 -0.815 . . . . 44.31 110.556 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.36 -55.13 34.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 74.44 111.628 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.38 -26.03 66.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.646 0.61 . . . . 75.13 112.646 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -104.81 -36.58 7.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.473 0.546 . . . . 73.5 112.473 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.516 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 48.8 mm -95.3 -32.76 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.911 -0.316 . . . . 74.13 111.452 -175.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m-85 -125.47 54.53 10.13 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 121.042 -0.263 . . . . 73.05 111.352 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 10.5 Cg_exo -70.15 -56.48 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.674 1.583 . . . . 64.34 112.519 -172.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -105.5 -2.29 23.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 53.22 111.355 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 56' ' ' LEU . 40.8 pt -112.56 13.68 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 111.707 0.262 . . . . 75.33 111.707 -174.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.25 -4.54 37.19 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.198 -0.525 . . . . 65.23 113.565 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 m -86.46 -1.07 57.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.977 0.388 . . . . 70.53 110.949 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -82.89 134.87 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.407 -0.36 . . . . 63.32 110.587 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.26 142.92 30.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.969 -0.752 . . . . 75.41 108.969 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.898 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 14.8 tt -58.78 -20.35 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 112.62 0.6 . . . . 75.41 112.62 -174.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -67.56 -21.7 65.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.806 0.336 . . . . 71.24 111.168 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -146.21 83.59 1.62 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.625 0.726 . . . . 73.01 109.871 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.626 HD13 ' H ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -77.82 150.11 34.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.977 -1.011 . . . . 71.53 109.004 178.265 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HB2' HD23 ' A' ' 56' ' ' LEU . 97.5 mttt -94.43 170.41 9.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.128 0.49 . . . . 64.42 111.826 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.774 HG22 ' H ' ' A' ' 54' ' ' SER . 2.5 m -73.92 -179.39 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.015 178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.774 ' H ' HG22 ' A' ' 53' ' ' THR . 3.4 m -68.01 12.57 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.547 0.943 . . . . 72.24 113.547 -172.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -74.8 -25.98 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 72.22 109.94 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 52' ' ' LYS . 3.6 pp -67.82 -13.69 62.34 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.685 -0.689 . . . . 73.4 111.638 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HG ' ' HG2' ' A' ' 61' ' ' LYS . 55.8 tp -72.94 -17.71 61.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.368 -0.378 . . . . 74.11 111.984 -176.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -52.12 -52.07 65.64 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.869 0.692 . . . . 51.23 112.869 -176.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.619 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 71.0 Cg_exo -50.39 -48.82 18.53 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.508 2.139 . . . . 74.42 113.326 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 60' ' ' ILE . 4.1 mp -64.34 -31.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.31 0.576 . . . . 72.11 110.349 -178.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 58.5 mmtt -69.14 -24.41 64.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 74.14 112.054 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.39 -47.41 79.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.279 -0.419 . . . . 75.45 110.263 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.62 HG12 ' HB2' ' A' ' 68' ' ' LYS . 19.9 t -77.17 -34.23 21.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.409 0.624 . . . . 61.44 109.947 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.613 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.5 t70 -54.45 -54.25 43.28 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.974 -1.012 . . . . 75.42 111.177 178.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -64.87 -23.76 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.698 -0.683 . . . . 53.02 112.124 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.5 m -71.68 -11.52 60.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.838 0.351 . . . . 72.4 110.856 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.93 -11.21 7.82 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.782 -0.723 . . . . 64.31 112.372 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.958 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 10.6 mmpt? -87.01 22.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.261 0.553 . . . . 73.13 111.322 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 4.2 p-80 -61.05 -14.37 23.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.391 -0.822 . . . . 75.21 111.794 176.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.07 -50.37 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.224 -0.287 . . . . 43.34 110.224 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.32 -37.36 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 54.11 110.779 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.568 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . . . -60.13 -57.25 13.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 64.14 111.938 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.3 tp60 -57.88 -47.09 83.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 70.01 110.883 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -49.33 72.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.26 -0.882 . . . . 73.03 111.742 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.98 -35.21 64.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.111 0.412 . . . . 61.24 112.111 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.3 pp0? -70.63 -44.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.277 . . . . 72.12 111.076 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -66.43 -19.02 65.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.11 0.481 . . . . 72.0 110.735 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -64.65 -27.37 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.949 -0.569 . . . . 64.05 111.394 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 76' ' ' GLN . 7.4 p -64.89 -31.8 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.906 0.384 . . . . 64.41 110.72 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.2 m -61.17 -31.05 70.79 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.015 0.436 . . . . 73.22 110.466 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.75 61.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 42.31 110.383 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.5 -35.04 68.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.864 -0.607 . . . . 75.42 109.957 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.558 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 10.9 mmt -60.33 -33.03 71.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.677 -0.692 . . . . 73.13 111.449 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -68.35 -31.34 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.75 0.309 . . . . 64.12 110.992 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 16' ' ' TRP . 19.1 m-85 -73.09 -29.57 63.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.143 0.497 . . . . 65.21 110.417 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.87 75.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.071 -0.513 . . . . 65.2 110.052 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 83' ' ' MET . 92.4 t -66.78 -36.07 76.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.306 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.682 . . . . 73.12 110.167 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -95.29 5.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 73.41 111.098 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.4 t70 53.21 39.02 29.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.922 0.868 . . . . 52.43 110.439 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.611 ' HE2' HG23 ' A' ' 48' ' ' ILE . 8.6 t80 -87.39 -20.14 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.309 -0.86 . . . . 73.3 110.905 -174.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.5 pt -117.01 154.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.402 -0.363 . . . . 75.24 110.646 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.17 -31.39 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.362 0.601 . . . . 73.13 110.198 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.9 m -110.16 162.27 14.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.012 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -118.17 86.28 26.36 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.904 0.383 . . . . 64.45 110.763 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.72 -175.38 2.26 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.518 2.145 . . . . 75.42 111.861 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.2 12.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.157 -0.474 . . . . 62.43 111.459 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -89.31 -17.51 28.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.92 0.39 . . . . 54.44 110.674 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -125.24 68.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.445 0.641 . . . . 73.3 110.659 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.6 mtp -113.78 13.62 18.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.928 -0.578 . . . . 73.13 110.239 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.12 114.19 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.565 -0.743 . . . . 64.23 110.194 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -151.25 -44.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.711 -0.757 . . . . 65.32 112.341 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -133.34 111.64 10.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 63.23 110.773 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -132.68 -71.92 0.52 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.576 -0.738 . . . . 62.11 109.18 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -137.99 -76.7 0.38 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.997 -0.547 . . . . 43.34 110.013 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -143.85 121.25 11.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 55.44 110.55 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m -160.46 151.19 18.61 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.555 -0.906 . . . . 71.1 108.555 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -138.72 120.72 15.58 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.122 -0.696 . . . . 62.43 109.122 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -174.87 31.58 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.331 -0.849 . . . . 75.42 108.964 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -61.92 149.25 41.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.42 -0.809 . . . . 62.41 111.763 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.89 93.77 9.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.039 -0.982 . . . . 71.35 111.08 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -109.86 101.62 47.59 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.726 . . . . 71.4 109.878 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.77 166.44 11.65 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.806 2.337 . . . . 75.13 112.127 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 tp -167.06 59.38 0.08 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.392 -0.822 . . . . 65.54 109.377 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 53.55 -102.26 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.829 -1.078 . . . . 64.22 112.047 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.25 67.77 7.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.393 0.616 . . . . 74.44 110.123 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -150.19 89.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.329 -0.851 . . . . 75.42 109.785 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -127.88 108.64 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.053 -0.522 . . . . 72.21 109.718 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -102.57 113.41 26.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 71.44 111.501 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -87.28 143.19 27.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.654 -0.703 . . . . 73.34 109.278 173.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.1 p80 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.557 -0.735 . . . . 73.31 110.172 178.597 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.663 0.268 . . . . 65.44 110.677 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 50.39 -101.42 0.09 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.373 -0.831 . . . . 73.05 112.247 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -175.54 111.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 64.31 109.326 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 m -67.81 -42.71 81.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.224 -0.444 . . . . 54.14 111.004 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.07 -165.71 29.36 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.17 -0.538 . . . . 63.35 111.795 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.01 -81.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.186 0.517 . . . . 74.22 110.368 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.69 23.66 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.932 0.873 . . . . 75.12 108.646 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 11' ' ' THR . 0.3 OUTLIER -62.56 161.95 11.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 113.893 -1.503 . . . . 62.24 111.132 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.474 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 42.7 t80 -49.05 -49.18 42.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 75.44 112.287 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -37.69 77.48 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 121.241 -0.184 . . . . 72.51 111.341 -173.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 8' ' ' THR . 12.4 t -70.36 -30.96 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.871 -0.518 . . . . 71.44 111.279 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 86' ' ' ALA . 60.0 mt -76.13 -38.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.547 -0.538 . . . . 74.11 109.547 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -63.92 -29.49 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 74.12 110.331 174.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 HH21 ' CD ' ' A' ' 25' ' ' GLU . 3.3 mmt-85 -52.92 -32.4 45.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.708 -0.678 . . . . 74.2 112.153 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -57.25 -55.29 36.62 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.505 0.503 . . . . 75.11 110.547 -176.694 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.644 ' HE1' HG12 ' A' ' 82' ' ' ILE . 70.1 p-90 -80.64 -32.57 36.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.726 -0.215 . . . . 72.22 111.001 175.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -50.93 -28.33 9.49 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.88 0.696 . . . . 51.53 112.88 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 9.9 pt-20 -65.49 -20.7 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.518 0.199 . . . . 74.54 111.489 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -79.0 -20.57 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.45 . . . . 63.13 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -78.97 176.89 9.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 73.41 109.719 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.688 ' HB3' ' HZ3' ' A' ' 23' ' ' TRP . 62.9 mmtt -72.79 99.43 2.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.636 0.731 . . . . 73.21 111.328 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HD3' ' OE2' ' A' ' 25' ' ' GLU . 1.2 tmm_? -137.42 98.29 3.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.93 -1.032 . . . . 73.23 109.169 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.688 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 44.0 p90 -106.6 -1.89 22.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.487 -0.779 . . . . 73.14 110.772 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -163.2 140.28 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.935 -0.575 . . . . 74.22 110.234 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 21.4 mm-40 -69.16 -27.37 65.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.655 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.47 -35.72 74.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 74.22 110.852 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -63.86 -28.31 69.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.643 -0.708 . . . . 62.52 111.283 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 23.8 ptt180 -72.22 -24.55 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.563 -0.455 . . . . 72.24 110.293 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -73.0 -33.09 65.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.228 0.537 . . . . 71.21 110.298 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.4 -39.05 62.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 70.34 111.007 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 28' ' ' ARG . 32.7 m -83.71 -14.61 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.788 -0.642 . . . . 74.35 111.271 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 28' ' ' ARG . 7.4 tt -53.13 -51.45 61.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.871 0.367 . . . . 63.32 110.377 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.376 -0.374 . . . . 75.41 110.812 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -70.18 -48.24 58.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 74.45 110.522 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HA ' HG12 ' A' ' 39' ' ' ILE . 4.0 pp -70.46 -29.55 66.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 71.24 111.155 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 43.8 tt0 -75.0 -29.93 61.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 73.43 111.205 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 41' ' ' PRO . 41.2 tp -98.61 -27.11 14.15 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.341 0.497 . . . . 53.44 112.341 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -108.8 -34.96 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.523 0.564 . . . . 54.53 112.523 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG12 ' HA ' ' A' ' 35' ' ' LEU . 43.8 mm -85.3 -57.68 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.757 0.313 . . . . 72.5 110.405 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' HG13 ' A' ' 43' ' ' ILE . 8.5 p90 -131.23 76.22 76.55 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.067 0.461 . . . . 72.03 110.885 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 56.1 Cg_endo -76.01 -57.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.498 2.132 . . . . 40.13 113.884 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.93 -16.23 34.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 74.0 110.618 -175.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.641 HG13 ' HB2' ' A' ' 40' ' ' PHE . 24.1 pt -102.85 9.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.54 . . . . 73.24 110.454 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.473 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -74.82 1.75 52.48 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.87 -0.605 . . . . 62.33 112.298 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 p -87.75 -10.73 50.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.169 0.509 . . . . 75.11 110.002 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -107.56 113.02 26.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.677 -0.692 . . . . 72.41 110.471 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 23.0 t70 -79.78 161.92 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.887 -0.597 . . . . 72.43 110.04 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 12' ' ' ILE . 16.5 tt -57.04 -23.87 19.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 122.591 0.356 . . . . 72.01 111.495 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 47' ' ' ASP . 24.9 ptt180 -54.75 -26.79 36.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.147 -0.479 . . . . 75.02 111.168 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -148.75 85.37 1.49 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.891 0.377 . . . . 74.44 110.508 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 52' ' ' LYS . 18.5 tp -92.67 161.77 14.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.699 -0.482 . . . . 63.43 109.699 175.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 94.2 mttt -117.38 176.47 5.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 61.21 110.405 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -69.68 -164.4 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.015 0.436 . . . . 74.12 111.628 -178.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.56 ' H ' HG22 ' A' ' 53' ' ' THR . 16.0 m -66.48 11.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.853 0.686 . . . . 72.44 112.853 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -65.62 -28.4 69.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.262 -0.644 . . . . 73.12 109.262 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.59 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 4.6 pp -73.48 -14.91 61.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.267 -0.878 . . . . 71.54 111.169 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 58.9 tp -73.28 -21.39 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 52.14 110.589 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.647 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -59.15 -51.29 82.75 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.026 0.38 . . . . 60.05 112.026 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 50.5 Cg_exo -56.84 -31.59 89.29 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.213 1.942 . . . . 73.21 112.84 173.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -68.55 -28.63 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.888 -0.412 . . . . 70.23 109.888 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.871 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 0.6 OUTLIER -68.94 -25.33 64.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 73.01 110.448 -178.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -58.34 -49.91 75.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 74.2 109.995 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.74 -33.29 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.002 0.43 . . . . 64.44 110.429 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.871 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.46 -58.01 10.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.776 -0.647 . . . . 65.4 111.908 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -71.71 -12.62 61.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.048 0.451 . . . . 75.31 111.237 -173.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -15.7 61.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.957 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.3 -3.13 7.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.59 -0.815 . . . . 72.24 112.349 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 18.66 10.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.794 0.33 . . . . 71.31 110.179 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.462 ' HB2' ' OD1' ' A' ' 64' ' ' ASP . 5.4 p-80 -54.65 -41.91 70.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.363 -0.835 . . . . 73.15 112.148 -170.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.84 -38.94 61.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 75.45 110.464 -174.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 38.7 t -72.98 -48.86 42.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.683 -0.69 . . . . 74.21 110.445 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.18 93.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.957 -0.565 . . . . 63.03 111.29 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 17.2 tt0 -59.12 -46.42 88.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 74.11 110.968 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -63.06 -38.41 91.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.261 -0.881 . . . . 64.34 110.813 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 97.4 mt -73.19 -46.54 49.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.452 -0.34 . . . . 72.51 111.438 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 79' ' ' VAL . 4.7 pp0? -61.48 -37.54 83.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 73.43 111.143 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -20.02 62.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.762 -0.654 . . . . 64.34 111.41 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.58 ' O ' HG13 ' A' ' 82' ' ' ILE . 28.3 mmt180 -64.11 -32.52 74.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.732 -0.213 . . . . 74.42 111.319 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 76' ' ' GLN . 13.2 m -66.91 -31.91 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.794 0.33 . . . . 74.25 110.296 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.561 HG23 ' HB1' ' A' ' 97' ' ' ALA . 3.1 m -60.83 -40.38 92.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.072 -0.513 . . . . 54.24 110.351 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.4 81.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.781 -0.645 . . . . 65.11 110.565 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.644 HG12 ' HE1' ' A' ' 16' ' ' TRP . 40.7 mt -59.89 -45.08 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.102 177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 92.7 mmm -64.49 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 75.4 110.945 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 2.7 tmt_? -67.14 -38.84 86.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.263 -0.426 . . . . 75.02 110.023 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -73.99 -41.63 61.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.002 0.429 . . . . 73.14 110.387 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 12' ' ' ILE . . . -65.01 -40.87 95.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.296 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 84' ' ' ARG . 2.7 p -68.1 -27.62 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.436 -0.347 . . . . 74.34 110.508 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.72 74.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.823 -0.626 . . . . 72.13 109.7 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -89.01 1.23 55.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 75.53 110.577 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.4 t0 55.72 40.28 30.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.074 0.94 . . . . 74.24 109.209 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -101.07 -18.12 16.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.937 -1.029 . . . . 55.14 112.081 -168.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.551 HG13 ' H ' ' A' ' 93' ' ' ASP . 2.1 pt -103.41 -88.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.758 1.021 . . . . 74.45 113.758 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.551 ' H ' HG13 ' A' ' 92' ' ' ILE . 35.3 t70 -177.34 46.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.424 -0.584 . . . . 72.35 109.424 -170.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.595 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 56.8 m 71.45 -158.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.157 -0.928 . . . . 52.41 110.591 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.85 87.71 7.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 111.937 0.347 . . . . 64.43 111.937 -174.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.595 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.1 Cg_exo -76.64 -17.98 15.67 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.697 2.265 . . . . 62.3 112.255 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.561 ' HB1' HG23 ' A' ' 80' ' ' THR . . . -93.91 82.68 4.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.196 0.522 . . . . 73.11 110.822 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -133.6 139.06 46.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.91 -0.586 . . . . 73.14 110.073 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.06 15.37 10.05 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.101 0.953 . . . . 34.14 109.646 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.7 -33.93 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.956 -1.02 . . . . 73.22 110.765 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.83 15.83 19.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 62.12 111.06 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.79 66.93 3.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.84 -0.695 . . . . 54.11 111.987 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.36 -151.13 0.36 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.003 0.43 . . . . 73.31 110.643 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.12 12.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.725 -0.67 . . . . 54.15 112.608 -176.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.9 m -64.96 -33.14 75.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.362 . . . . 74.24 111.201 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -132.81 110.02 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.895 0.379 . . . . 74.31 111.064 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.5 p -116.46 129.85 56.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.678 -0.49 . . . . 74.34 109.678 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -158.68 166.78 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.49 . . . . 63.4 111.117 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.01 -70.87 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.812 -1.085 . . . . 43.13 108.121 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 57.75 123.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 114.863 1.431 . . . . 71.2 114.863 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -147.67 15.25 1.1 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.699 -1.591 . . . . 61.55 108.272 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -108.37 148.74 38.22 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 114.841 -1.072 . . . . 75.11 109.972 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.34 145.56 66.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.027 1.818 . . . . 70.33 110.991 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.61 -45.62 86.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.01 -0.541 . . . . 52.5 109.902 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.616 ' HG3' ' HB3' ' A' ' 118' ' ' HIS . 31.7 tt0 51.95 97.85 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.687 1.242 . . . . 74.04 113.33 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 117' ' ' HIS . 27.7 m80 -117.36 139.43 50.87 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.401 -0.592 . . . . 72.21 109.401 173.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 116' ' ' HIS . 21.3 m-70 74.38 -42.79 0.51 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.568 0.747 . . . . 55.21 111.702 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.616 ' HB3' ' HG3' ' A' ' 115' ' ' GLU . 38.5 t-80 -70.44 138.1 50.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.555 -0.535 . . . . 71.02 109.555 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -134.67 150.48 50.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.566 0.222 . . . . 74.54 110.876 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -110.53 177.42 4.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 75.33 109.676 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.024 -0.989 . . . . 74.24 110.792 -178.469 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.703 ' HA ' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 108.837 -0.801 . . . . 54.05 108.837 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.8 pm0 -66.82 136.2 55.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.331 -0.849 . . . . 61.4 109.85 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -69.82 104.87 2.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.441 . . . . 61.14 110.929 -175.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t -167.42 -56.53 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.689 -0.687 . . . . 72.23 109.472 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.76 -110.93 0.79 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.852 -0.689 . . . . 62.24 111.816 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 70.09 97.61 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.429 0.691 . . . . 71.2 110.428 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.42 ' CE2' HG12 ' A' ' 12' ' ' ILE . 11.1 t80 67.9 73.45 0.31 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.164 -0.926 . . . . 64.42 109.054 -173.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' HG13 ' A' ' 12' ' ' ILE . 12.6 m -61.59 142.73 56.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.693 -1.14 . . . . 62.54 112.681 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.789 ' HD1' ' HB ' ' A' ' 48' ' ' ILE . 93.5 t80 -49.18 -46.33 45.32 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.159 -0.928 . . . . 73.31 111.673 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.44 -33.23 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 71.24 110.642 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 m -68.33 -40.18 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.059 0.457 . . . . 55.53 110.637 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 86' ' ' ALA . 22.5 mt -63.72 -41.15 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 44.11 109.933 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -65.03 -37.78 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 63.4 110.553 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.475 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 21.5 ttt180 -63.75 -37.3 86.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.936 -0.575 . . . . 74.3 111.201 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.85 -55.23 28.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.977 -0.556 . . . . 74.0 111.463 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.703 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.7 p-90 -79.15 -25.16 42.88 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.272 -0.571 . . . . 74.44 110.887 178.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 81.9 t60 -61.03 -31.25 70.88 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.827 -0.17 . . . . 61.34 111.358 174.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 44.6 mt-10 -72.79 -3.27 24.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.739 0.305 . . . . 74.23 111.184 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 m -88.59 0.37 56.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.296 0.569 . . . . 64.54 109.563 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -106.32 -174.91 2.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.575 -0.739 . . . . 54.3 109.102 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 21' ' ' LYS . 1.5 tmtp? -113.99 -26.27 8.19 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.501 0.185 . . . . 62.34 111.501 -174.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HG3' ' H ' ' A' ' 23' ' ' TRP . 6.2 tpt180 -92.71 174.79 7.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.156 0.503 . . . . 73.01 111.472 -172.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.518 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 9.1 m95 49.7 81.0 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.731 -1.122 . . . . 71.31 112.965 -177.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -73.87 174.72 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.271 -0.877 . . . . 62.5 109.31 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.95 -41.75 92.55 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.687 0.254 . . . . 75.3 111.687 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.34 -46.02 69.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 71.31 110.661 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -73.75 -30.24 62.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.418 -0.81 . . . . 64.44 110.389 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.9 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.53 . . . . 71.45 110.036 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -67.82 -35.06 77.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.141 -0.481 . . . . 73.41 111.287 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -78.99 -42.31 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 74.43 110.983 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -62.82 -13.87 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.88 -0.6 . . . . 54.44 111.091 -177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 2.6 tm? -51.64 -32.17 28.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.668 0.387 . . . . 60.43 110.999 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -66.84 -51.77 51.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.064 0.459 . . . . 74.32 110.253 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.31 -34.95 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 74.12 110.133 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.957 HD22 ' HB ' ' A' ' 39' ' ' ILE . 2.5 tm? -52.48 -59.95 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.949 -1.023 . . . . 51.25 109.65 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 43.9 mt-10 -55.51 -30.31 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.994 0.738 . . . . 75.32 112.994 -174.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 37' ' ' LEU . 4.0 mm? -92.68 -39.47 11.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.753 0.649 . . . . 63.3 112.753 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -113.25 -41.64 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.802 0.667 . . . . 72.22 112.802 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.957 ' HB ' HD22 ' A' ' 35' ' ' LEU . 34.7 mm -100.84 102.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 71.13 109.581 -173.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CZ ' ' HE2' ' A' ' 9' ' ' PHE . 5.0 m-85 67.25 58.37 0.85 Allowed Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 114.112 -1.404 . . . . 75.44 109.444 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 29.4 Cg_endo -63.38 -56.54 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.18 1.92 . . . . 75.11 113.412 -170.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.98 -5.7 21.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 71.45 110.668 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 40' ' ' PHE . 30.0 pt -105.53 -9.92 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.271 -0.422 . . . . 73.35 111.212 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.23 33.8 2.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.093 -0.575 . . . . 72.13 112.413 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -107.93 -10.37 15.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.575 -0.528 . . . . 73.15 109.575 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -131.07 140.44 50.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 43.31 110.2 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . 13.0 t70 -79.44 164.11 24.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.397 -0.365 . . . . 74.42 110.968 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.861 ' HA ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 tt -57.31 -34.89 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 113.095 0.776 . . . . 73.3 113.095 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 92' ' ' ILE . 70.4 ttt180 -66.17 -9.59 33.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.33 111.646 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.703 ' HB3' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -138.23 18.07 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.313 -0.403 . . . . 34.12 110.535 178.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.861 ' HG ' ' HA ' ' A' ' 48' ' ' ILE . 20.9 mt -59.28 162.18 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.427 0.632 . . . . 71.21 111.36 173.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -109.34 176.09 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.57 -0.741 . . . . 72.3 111.07 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.454 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.4 p -73.14 -162.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.786 -0.643 . . . . 61.23 111.987 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' H ' ' HB ' ' A' ' 53' ' ' THR . 5.3 m -60.6 5.56 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.95 1.093 . . . . 75.23 113.95 -170.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -64.86 -28.2 69.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.387 -0.598 . . . . 73.03 109.387 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 60' ' ' ILE . 1.5 pt? -65.73 -14.25 60.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.271 -0.877 . . . . 61.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.42 -18.93 63.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.57 -0.286 . . . . 75.01 111.452 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.63 -55.49 44.2 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.485 0.55 . . . . 61.02 112.485 -177.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 36.5 Cg_endo -67.57 -18.49 48.68 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.745 1.63 . . . . 61.01 113.21 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.603 HG23 ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp -79.11 -26.7 13.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.949 -0.76 . . . . 74.13 108.949 172.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -71.65 -40.43 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.885 -0.598 . . . . 73.24 110.542 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 59' ' ' PRO . 12.5 pt-20 -67.11 -35.5 79.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.325 -0.398 . . . . 73.0 110.912 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 60' ' ' ILE . 27.6 m -76.43 -30.13 19.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.033 0.444 . . . . 61.23 110.477 176.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.578 ' HA ' ' HA ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -61.01 -46.02 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 73.35 110.289 171.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.0 m -79.99 -12.76 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.56 . . . . 73.22 110.866 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 t -72.69 -22.11 60.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 42.22 110.414 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.64 -31.14 3.45 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.756 -0.735 . . . . 73.34 112.179 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.95 51.99 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 75.51 110.462 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 6.3 p80 -68.95 -19.76 64.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.3 -0.864 . . . . 62.15 110.879 -177.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.42 -42.18 75.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 74.23 109.725 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.6 -45.35 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 64.12 109.763 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.603 ' HB1' HG23 ' A' ' 60' ' ' ILE . . . -55.74 -49.35 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.741 . . . . 72.34 111.099 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -56.45 -47.36 79.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.37 0.605 . . . . 51.23 110.443 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -57.97 -40.9 81.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.332 -0.849 . . . . 60.13 111.599 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 39' ' ' ILE . 2.4 mm? -59.25 -40.98 87.66 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.875 0.11 . . . . 73.33 111.244 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -61.55 -46.76 88.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.69 0.757 . . . . 61.54 109.632 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -64.02 -42.06 97.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.825 -1.079 . . . . 60.51 110.886 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.537 HH11 HD22 ' A' ' 75' ' ' LEU . 59.2 mtt85 -57.39 -53.18 61.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.946 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.648 ' O ' ' HG2' ' A' ' 83' ' ' MET . 33.5 m -66.28 -32.26 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.009 -0.276 . . . . 60.23 111.241 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.6 m -59.11 -44.38 91.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.738 0.304 . . . . 72.33 110.701 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.8 90.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.265 -0.425 . . . . 75.15 110.324 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.703 HG12 ' HE1' ' A' ' 16' ' ' TRP . 77.0 mt -59.3 -41.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 70.12 110.998 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 79' ' ' VAL . 38.6 mmt -54.35 -51.03 66.04 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.264 -0.425 . . . . 65.44 110.489 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.8 ttm180 -58.92 -45.11 91.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 74.11 111.774 -175.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -68.06 -34.39 76.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.82 0.343 . . . . 75.04 111.167 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 12' ' ' ILE . . . -69.48 -37.03 77.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 75.11 110.854 178.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 83' ' ' MET . 96.1 t -65.62 -40.07 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 71.13 110.569 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 79.1 mm-40 -62.69 -32.69 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 70.34 111.271 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -5.19 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.43 -0.35 . . . . 70.35 110.981 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.56 26.12 15.52 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.55 0.574 . . . . 63.45 112.55 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -91.17 -51.9 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.286 0.476 . . . . 51.23 112.286 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.517 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 41.2 pt -69.35 -23.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.656 0.243 . . . . 61.03 111.656 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 70.75 -59.27 0.54 Allowed 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.044 0.84 . . . . 71.2 111.846 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -81.42 171.67 14.47 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.083 -0.508 . . . . 64.11 110.756 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -119.87 85.91 35.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.913 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.59 ' HG2' ' SD ' ' A' ' 83' ' ' MET . 72.3 Cg_endo -78.97 -178.15 4.44 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.711 1.607 . . . . 65.54 111.136 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 100' ' ' MET . . . 50.81 26.04 2.42 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.289 0.368 . . . . 63.11 111.78 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -66.6 0.5 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.007 0.432 . . . . 72.21 111.179 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.31 64.23 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.244 -1.021 . . . . 53.05 108.244 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.448 ' HB2' ' HA ' ' A' ' 97' ' ' ALA . 1.8 tmt? -96.48 -34.77 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.654 -1.157 . . . . 72.34 111.254 -170.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.58 105.8 16.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.321 -0.4 . . . . 53.05 110.296 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -168.25 140.27 6.12 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.787 -0.72 . . . . 73.3 112.145 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 60.98 90.95 0.06 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.194 0.598 . . . . 71.3 112.022 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.0 mt -85.46 -20.66 29.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.542 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.7 t -111.37 -69.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.314 0.578 . . . . 62.25 110.219 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.61 129.34 12.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 72.33 110.099 -176.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.464 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -70.86 144.55 50.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.482 -0.326 . . . . 74.42 110.219 178.426 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -102.14 135.46 43.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.164 0.507 . . . . 71.54 109.886 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -129.85 -47.85 1.14 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.296 -0.866 . . . . 62.51 111.601 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 57.12 85.87 0.08 Allowed 'General case' 0 CA--C 1.53 0.196 0 O-C-N 123.723 0.639 . . . . 74.14 110.54 -174.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -144.04 113.7 7.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.721 -0.672 . . . . 72.3 109.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 15.2 t80 -88.14 107.38 15.93 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.999 -0.741 . . . . 72.21 108.999 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 9.1 Cg_endo -85.75 103.2 0.73 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.001 2.467 . . . . 63.14 112.82 -173.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.0 tp -99.3 -21.79 15.89 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.214 -0.903 . . . . 61.14 108.987 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.53 120.66 42.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.279 -0.873 . . . . 64.24 111.006 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 113' ' ' PRO . 13.0 m80 -137.25 144.44 42.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.716 -0.675 . . . . 72.05 109.357 172.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -94.73 115.48 27.57 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.728 -0.471 . . . . 63.33 109.728 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -100.75 116.15 31.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.997 -0.371 . . . . 74.01 109.997 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -141.42 122.38 14.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.39 -0.368 . . . . 71.21 110.876 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -172.1 133.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.114 -0.494 . . . . 64.33 110.028 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.247 -0.882 . . . . 65.04 109.801 177.196 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.887 -0.412 . . . . 61.41 109.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.25 100.68 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.959 0.409 . . . . 63.42 110.149 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.426 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 3.4 m-20 -92.66 91.62 7.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.859 -0.609 . . . . 75.42 109.844 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.8 m -90.68 112.08 23.68 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.76 -0.655 . . . . 74.53 111.208 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' HA3' ' OG1' ' A' ' 11' ' ' THR . . . -158.04 156.5 27.41 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.976 -0.85 . . . . 53.32 110.976 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.58 -85.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.308 0.554 . . . . 63.1 111.306 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -165.16 17.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 72.0 110.574 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 11' ' ' THR . 12.4 p -106.14 -167.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 71.43 111.473 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.411 ' N ' ' HB ' ' A' ' 48' ' ' ILE . 50.4 t80 -66.9 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.438 . . . . 53.2 110.981 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -61.71 -42.4 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 75.14 111.882 -175.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 8' ' ' THR . 15.3 t -66.12 -29.78 70.15 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.951 0.352 . . . . 51.33 111.951 -171.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 85' ' ' TYR . 46.1 mm -72.52 -46.59 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 73.42 110.331 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.62 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.21 0.529 . . . . 73.12 110.262 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 2.2 tmt_? -58.77 -28.77 66.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.108 -0.951 . . . . 73.42 111.136 -177.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.22 -59.1 2.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 33.31 111.566 -174.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -81.64 -35.17 30.31 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.459 0.54 . . . . 74.41 112.459 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -73.47 -22.29 60.2 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.385 0.513 . . . . 72.43 112.385 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.9 tt0 -50.11 -47.72 53.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.987 0.736 . . . . 64.44 112.987 -169.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 t -84.46 3.88 34.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.024 0.379 . . . . 63.25 112.024 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.24 99.79 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.788 -0.365 . . . . 72.05 111.976 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -172.34 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.603 . . . . 73.21 109.514 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HD2' ' OG ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -162.83 114.33 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.91 -0.774 . . . . 72.15 108.91 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -71.79 91.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 70.41 111.424 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 22' ' ' ARG . 10.6 p 175.95 119.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.165 -0.925 . . . . 65.23 109.193 173.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.5 pm0 -62.63 -32.68 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.362 0.505 . . . . 73.22 112.362 -172.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.28 -47.47 79.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.304 0.573 . . . . 70.43 110.402 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 31' ' ' VAL . 9.5 m-70 -72.57 -33.16 66.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 72.14 109.5 -178.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.3 tpt85 -65.55 -37.71 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.406 -0.815 . . . . 74.13 111.246 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -77.42 -39.96 45.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.65 0.262 . . . . 71.45 111.413 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -64.85 -33.83 76.93 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.913 0.338 . . . . 70.42 111.913 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 28' ' ' ARG . 27.8 m -66.09 -16.18 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.634 0.254 . . . . 73.53 111.474 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.77 -36.38 84.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.476 . . . . 64.41 109.892 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -71.75 -32.91 68.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.044 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.77 -24.33 59.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 75.01 109.684 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' A' ' 39' ' ' ILE . 29.4 tp -60.91 -31.88 71.37 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.387 -0.824 . . . . 62.01 110.514 177.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -75.33 -29.26 59.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 65.31 110.995 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 38' ' ' TYR . 3.1 tt -81.32 -65.25 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 72.41 111.51 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD2' HD22 ' A' ' 37' ' ' LEU . 2.6 m-85 -102.9 5.87 38.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.317 0.488 . . . . 72.53 112.317 -172.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.64 ' HB ' ' O ' ' A' ' 35' ' ' LEU . 29.2 mm -121.5 129.26 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 109.007 -0.738 . . . . 60.23 109.007 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.771 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 36.7 m-85 65.06 54.83 1.2 Allowed Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.633 -1.167 . . . . 72.15 111.047 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -55.76 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.067 1.845 . . . . 74.54 112.557 -175.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -105.2 -10.85 16.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 64.52 110.699 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 56' ' ' LEU . 36.2 pt -112.04 15.03 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.267 -0.424 . . . . 74.22 112.097 -170.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.771 ' HA2' ' HB3' ' A' ' 40' ' ' PHE . . . -60.95 -29.22 70.15 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.167 -0.54 . . . . 43.14 113.784 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.7 m -96.32 16.36 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.141 0.423 . . . . 64.2 112.141 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -75.82 169.9 17.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.745 0.307 . . . . 71.0 110.657 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -104.67 165.06 11.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 74.32 109.395 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' HB ' ' N ' ' A' ' 9' ' ' PHE . 6.2 tt -77.71 -38.38 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.915 0.388 . . . . 40.34 110.118 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' ' 92' ' ' ILE . 35.3 mtp180 -80.69 -22.91 39.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.369 -0.604 . . . . 54.43 109.369 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.849 HE21 ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -131.96 85.05 2.21 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.335 -0.848 . . . . 72.34 110.387 177.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -96.22 160.97 14.15 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.488 -1.233 . . . . 64.14 109.484 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -75.9 158.39 32.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.19 0.519 . . . . 73.54 111.528 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.407 ' C ' ' H ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.27 -162.3 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.53 -0.759 . . . . 72.25 110.751 175.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' A' ' 100' ' ' MET . 16.9 m -65.49 8.31 0.17 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.537 0.569 . . . . 52.31 112.537 -175.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 53' ' ' THR . 21.2 m-70 -70.05 -26.77 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.169 -0.678 . . . . 63.44 109.169 173.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' HB3' HG21 ' A' ' 43' ' ' ILE . 4.5 pp -65.59 -15.62 62.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.53 -0.759 . . . . 73.22 111.288 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.31 -24.09 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.389 . . . . 72.52 111.021 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -55.38 45.44 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.106 0.41 . . . . 72.12 112.106 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.33 -24.25 37.48 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.743 1.629 . . . . 50.22 112.797 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 63' ' ' VAL . 47.7 mm -73.81 -24.29 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.391 0.615 . . . . 73.13 109.536 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -70.3 -39.78 74.63 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.601 -0.439 . . . . 71.13 110.872 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.85 -33.59 70.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.766 -0.373 . . . . 71.21 110.86 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 10.8 m -74.19 -31.62 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.507 -0.553 . . . . 70.42 109.507 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -56.33 23.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.492 -0.776 . . . . 61.21 110.499 172.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -72.42 -12.47 61.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.492 -0.776 . . . . 71.12 111.188 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -66.49 -11.5 52.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.185 -0.461 . . . . 61.33 110.605 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.74 3.89 10.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.362 -0.923 . . . . 40.14 113.117 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -122.19 56.15 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.569 0.699 . . . . 74.44 110.621 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -58.95 -42.16 89.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 72.41 110.472 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 7.9 m-20 -61.38 -44.07 97.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.614 -0.721 . . . . 54.2 110.271 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 44.9 t -63.99 -46.62 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.62 -0.718 . . . . 52.53 110.295 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -55.84 -47.55 77.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 73.43 111.22 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -61.04 -44.3 97.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.048 0.451 . . . . 71.43 111.185 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.614 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 5.8 mpt_? -60.19 -41.05 92.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.986 -0.552 . . . . 72.43 111.176 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 88.1 mt -61.06 -36.38 79.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.681 0.252 . . . . 72.32 111.681 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 9.1 mm-40 -56.09 -50.42 71.08 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.731 . . . . 53.44 109.732 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.89 -20.73 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.803 -1.09 . . . . 63.4 111.737 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.614 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 6.2 mpt_? -72.33 -53.61 11.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.679 -0.237 . . . . 73.12 111.136 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.54 -34.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.848 0.314 . . . . 71.52 111.848 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.3 m -64.33 -40.04 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 54.41 110.483 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.06 81.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 52.01 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 78' ' ' ARG . 57.7 mt -64.57 -51.83 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 71.45 110.047 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.536 ' HG3' HD13 ' A' ' 92' ' ' ILE . 32.8 ttm -59.68 -39.96 86.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.316 -0.856 . . . . 71.41 111.702 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 19.3 tpt180 -66.04 -29.09 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.708 -0.224 . . . . 61.4 111.453 -175.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.424 ' HD2' HG23 ' A' ' 12' ' ' ILE . 25.5 t80 -74.79 -34.8 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 64.41 109.86 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.73 -17.87 64.13 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.798 -0.637 . . . . 72.13 111.777 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.496 HG22 HD11 ' A' ' 92' ' ' ILE . 58.5 t -58.91 -44.23 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.948 0.404 . . . . 70.14 110.191 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -71.28 -23.7 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 62.32 110.257 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -87.58 7.0 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.526 -0.761 . . . . 73.24 111.367 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.95 3.1 4.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 112.356 0.502 . . . . 71.43 112.356 172.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.57 -52.94 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 72.51 111.894 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' A' ' 83' ' ' MET . 29.2 pt -102.62 160.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.09 0.472 . . . . 71.22 112.002 -173.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.14 -31.27 6.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.541 -0.754 . . . . 73.14 110.411 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 23.1 t -130.28 156.94 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 63.34 110.085 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.409 HD21 HG22 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -112.87 87.33 10.05 Favored Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.462 -0.336 . . . . 74.23 110.94 -179.013 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.456 ' HD2' ' SD ' ' A' ' 83' ' ' MET . 16.4 Cg_exo -68.33 -16.04 43.1 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.678 2.252 . . . . 75.11 112.528 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.77 6.91 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 74.04 111.789 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -90.9 -8.33 49.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 63.22 111.233 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.39 -39.44 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.723 0.297 . . . . 55.14 111.674 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.666 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 2.0 ppp? -70.05 -27.19 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 65.41 112.727 -173.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.59 127.54 34.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.187 0.518 . . . . 52.51 111.136 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -141.23 177.02 21.35 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.52 -0.763 . . . . 64.13 111.312 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.18 103.8 7.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 74.13 111.206 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 105' ' ' SER . 2.1 pp -108.78 -24.3 11.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.028 -0.533 . . . . 62.42 110.351 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.44 ' N ' HD12 ' A' ' 104' ' ' LEU . 35.5 m -86.51 -53.84 4.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.524 -0.917 . . . . 65.54 108.524 170.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.9 m 69.89 134.78 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.129 -0.941 . . . . 64.31 112.691 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.56 ' O ' ' HD2' ' A' ' 108' ' ' LYS . 1.6 p -143.86 114.42 7.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 73.43 109.866 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.56 ' HD2' ' O ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -128.13 90.81 3.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.246 0.546 . . . . 71.14 110.678 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.06 -35.18 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.681 -1.145 . . . . 61.35 110.159 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -85.53 101.29 12.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 73.12 110.168 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -166.91 95.89 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.694 -0.685 . . . . 75.51 110.24 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -118.04 101.45 51.66 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.087 -0.709 . . . . 71.52 109.087 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -80.68 168.53 17.7 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.74 2.293 . . . . 73.11 112.228 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.4 tp -140.55 -77.77 0.3 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.563 -0.744 . . . . 72.43 110.002 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 41.5 54.63 3.62 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.976 0.797 . . . . 72.21 110.425 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -124.52 96.64 4.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.531 -0.759 . . . . 63.42 110.427 -174.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -147.88 113.52 5.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.28 0.562 . . . . 74.32 110.177 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -163.76 130.36 3.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 72.33 109.111 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -138.4 125.04 20.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.213 0.53 . . . . 64.3 111.15 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -138.45 114.84 10.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 72.41 109.349 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.073 -0.965 . . . . 71.51 110.459 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.844 -0.428 . . . . 71.15 109.844 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.35 106.23 7.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.279 -0.419 . . . . 62.24 110.289 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -127.85 160.49 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 70.33 109.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.551 ' HB2' HG23 ' A' ' 11' ' ' THR . 9.1 m -66.54 -36.65 83.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.805 0.336 . . . . 71.33 110.97 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.489 ' H ' HG21 ' A' ' 11' ' ' THR . . . -162.17 132.56 2.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.092 -0.575 . . . . 72.52 112.027 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.58 128.43 35.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.882 0.372 . . . . 64.11 110.393 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 p90 44.75 34.0 1.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.658 -1.156 . . . . 73.04 112.442 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 21.1 m -91.81 128.24 37.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.112 -0.494 . . . . 70.24 110.204 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -52.28 -50.12 62.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.06 -0.518 . . . . 74.14 111.809 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.47 -31.99 72.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 71.24 111.428 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 4' ' ' SER . 20.6 m -73.04 -31.76 64.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.376 . . . . 75.14 111.423 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.2 -28.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.374 0.607 . . . . 72.41 109.389 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 71.34 110.931 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 17.3 tpp180 -51.75 -35.73 44.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.043 -0.526 . . . . 64.35 111.794 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 55.02 111.398 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -82.48 -28.28 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.781 0.289 . . . . 71.31 111.781 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 53.6 t60 -52.13 -28.8 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.704 0.631 . . . . 75.14 112.704 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 21.4 mm-40 -63.77 -8.11 9.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.177 0.436 . . . . 51.11 112.177 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -80.59 -14.88 57.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 61.12 110.345 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -96.69 157.54 15.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 75.33 109.881 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -130.74 170.73 13.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.718 0.294 . . . . 72.32 111.603 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 22' ' ' ARG . 4.3 tmt_? 67.2 90.42 0.09 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.228 -0.896 . . . . 73.24 110.696 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -134.57 -178.61 5.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.636 -0.711 . . . . 74.14 110.426 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -155.75 115.74 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.87 -0.605 . . . . 64.04 109.499 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -62.1 -27.79 69.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.122 -0.49 . . . . 61.55 112.079 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.29 -51.45 20.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.962 0.411 . . . . 74.2 110.702 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.9 -27.54 64.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.354 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -47.53 -46.98 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 61.32 111.68 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -71.42 -28.01 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 71.13 111.47 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.64 -46.29 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.855 0.36 . . . . 71.54 110.208 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.93 -20.26 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 71.05 110.421 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.21 -36.29 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 65.4 110.472 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 HH11 HD11 ' A' ' 37' ' ' LEU . 3.9 mmt180 -65.71 -38.29 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 72.24 110.826 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 81.1 t80 -67.98 -39.27 83.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.511 -0.552 . . . . 74.51 109.511 176.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD12 HD12 ' A' ' 39' ' ' ILE . 43.2 tp -56.46 -53.9 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.281 -0.872 . . . . 72.22 111.396 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.91 -31.01 69.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 72.45 111.847 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD11 HH11 ' A' ' 33' ' ' ARG . 8.6 mp -84.04 -2.32 56.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.669 0.248 . . . . 72.11 111.669 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 7.4 t80 -123.42 -58.91 1.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 72.01 111.469 -173.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.617 HD13 ' HG ' ' A' ' 75' ' ' LEU . 64.5 mt -94.4 -31.8 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.949 -0.569 . . . . 65.24 111.796 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -122.54 54.78 6.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.908 -0.317 . . . . 74.22 111.077 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.84 -58.46 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.437 1.424 . . . . 72.12 112.808 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.33 -15.85 14.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.816 0.341 . . . . 75.51 111.405 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 56' ' ' LEU . 45.8 pt -87.43 2.91 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.422 -0.354 . . . . 75.21 111.169 -175.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.03 -1.46 63.11 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.886 -0.673 . . . . 73.12 111.616 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 t -88.69 -2.38 58.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.422 . . . . 65.03 110.265 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 m -103.81 124.6 49.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 53.01 110.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.81 167.13 12.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.195 -0.457 . . . . 70.24 110.245 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -59.55 -37.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.192 0.441 . . . . 72.01 112.192 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 72.1 mtm180 -74.66 -35.05 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.757 0.313 . . . . 61.52 111.017 -177.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 78.75 1.41 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.699 ' HB3' ' HG3' ' A' ' 96' ' ' PRO . 31.7 tp -102.27 161.41 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 74.42 109.952 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HB2' HD23 ' A' ' 56' ' ' LEU . 34.4 mmtp -100.79 174.64 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 75.42 112.07 -173.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.2 p -97.23 -161.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.955 -1.02 . . . . 62.11 111.764 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 m -59.12 -0.59 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.898 1.073 . . . . 62.14 113.898 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -63.46 -31.69 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.064 0.459 . . . . 74.45 109.836 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 60' ' ' ILE . 4.1 pp -76.46 -15.51 59.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.619 -0.719 . . . . 71.42 111.685 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.29 -33.24 75.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.64 0.257 . . . . 74.21 111.193 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.55 44.11 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.99 0.737 . . . . 71.21 112.99 -175.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.3 -31.38 43.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.828 1.686 . . . . 72.02 112.938 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 mp -73.97 -24.3 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.304 0.573 . . . . 70.03 109.828 177.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -67.19 -26.18 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 62.13 110.064 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.75 -33.72 64.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.323 -0.853 . . . . 73.21 110.698 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -65.26 -46.29 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.07 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 45.3 t0 -62.6 -37.48 86.42 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.522 -0.763 . . . . 74.13 110.191 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 m -56.65 -39.78 74.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 64.12 110.81 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 m -73.87 -38.81 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.099 0.476 . . . . 73.52 109.866 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 64' ' ' ASP . . . 152.75 -142.71 9.54 Favored Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.336 -1.106 . . . . 33.03 110.336 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 52.86 42.19 31.95 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.113 0.482 . . . . 73.44 111.151 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -17.76 54.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.53 -0.759 . . . . 74.53 111.556 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 14.3 t70 -76.02 -42.59 47.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.964 0.412 . . . . 62.41 109.905 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.5 t -68.0 -50.6 57.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.417 -0.81 . . . . 62.41 111.254 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.34 -51.3 68.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.055 0.455 . . . . 54.33 110.942 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 30.8 tp60 -60.65 -44.83 95.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.492 -0.777 . . . . 73.53 110.397 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 70' ' ' ASP . 17.2 tpt180 -55.33 -45.94 76.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.409 -0.814 . . . . 71.14 111.393 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.617 ' HG ' HD13 ' A' ' 39' ' ' ILE . 4.1 mm? -69.05 -41.6 77.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 51.33 111.664 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 19.8 pt20 -67.84 -37.64 82.16 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.609 -0.437 . . . . 70.02 110.472 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.87 -40.37 92.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.773 -0.649 . . . . 71.33 110.05 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.49 ' HD3' HD13 ' A' ' 75' ' ' LEU . 60.3 mtp180 -56.45 -44.14 80.2 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.847 177.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 83' ' ' MET . 53.5 t -57.94 -52.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.386 . . . . 62.34 110.795 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 p -61.74 -33.56 74.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.367 . . . . 74.4 111.733 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.31 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.973 0.416 . . . . 22.43 110.558 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.6 mt -63.79 -35.35 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 75.34 111.019 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 87' ' ' VAL . 20.7 mmt -58.41 -32.94 69.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.806 0.336 . . . . 41.34 111.01 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.35 -45.99 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.251 0.548 . . . . 70.45 110.262 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -69.07 -29.93 68.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 75.51 110.862 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.37 69.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 43.45 110.729 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 83' ' ' MET . 61.0 t -75.77 -46.62 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.098 0.475 . . . . 53.54 109.79 174.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.44 -43.27 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 64.21 111.156 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -91.09 6.07 46.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.298 -0.41 . . . . 74.31 111.083 -175.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.5 t70 58.31 67.26 0.96 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.477 0.656 . . . . 63.35 111.891 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 89' ' ' ASN . 51.5 m-85 -111.68 -46.82 3.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.793 -0.64 . . . . 72.32 111.35 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 pt -102.18 163.52 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.585 0.587 . . . . 72.12 112.585 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -104.57 -41.83 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.988 -1.005 . . . . 73.01 109.785 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -122.2 169.02 11.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.491 -0.777 . . . . 65.01 109.311 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -108.35 89.82 6.33 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 123.31 0.381 . . . . 71.35 110.611 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.699 ' HG3' ' HB3' ' A' ' 51' ' ' LEU . 43.7 Cg_endo -66.25 -172.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.951 2.434 . . . . 62.4 112.293 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.593 ' HB1' ' HG2' ' A' ' 100' ' ' MET . . . 59.56 30.63 20.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.566 0.698 . . . . 72.12 110.246 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -66.69 127.09 31.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.449 -0.796 . . . . 65.32 110.972 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t70 62.22 24.31 14.46 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.482 -0.781 . . . . 74.52 111.703 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.593 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 4.6 ppp? -75.68 -23.6 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.919 0.39 . . . . 75.22 110.749 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.89 72.44 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 74.13 110.585 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.446 ' O ' HD23 ' A' ' 104' ' ' LEU . . . -128.52 -156.44 8.97 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.794 -0.717 . . . . 64.33 112.328 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 65.03 -81.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.368 0.667 . . . . 71.03 111.958 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 104' ' ' LEU . 2.6 pt? -83.32 -20.82 33.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 62.24 111.198 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -99.21 4.71 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.955 0.407 . . . . 72.44 111.406 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -128.2 110.52 12.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.295 -0.411 . . . . 74.53 110.723 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.7 t -160.24 177.57 10.51 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.03 -0.359 . . . . 63.51 110.03 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.862 ' HE3' ' HA ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER 54.16 86.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.954 0.784 . . . . 64.13 111.45 -177.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.18 -57.13 2.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 74.55 110.781 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 110' ' ' ARG . 11.2 ttt180 62.14 119.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.628 0.728 . . . . 71.11 111.651 -178.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.715 ' HD2' ' HD2' ' A' ' 112' ' ' TYR . 18.3 p-80 -105.99 -31.24 8.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 75.31 111.034 -173.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.715 ' HD2' ' HD2' ' A' ' 111' ' ' HIS . 13.7 m-85 -144.97 148.28 38.15 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 74.52 110.055 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 5.9 Cg_exo -78.44 -177.22 3.72 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.141 2.561 . . . . 32.44 112.22 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.2 tp -117.28 -27.66 6.37 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.09 -0.959 . . . . 74.15 108.649 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -95.16 124.89 39.45 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.4 -1.273 . . . . 72.43 109.978 178.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -104.69 87.25 2.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.194 0.521 . . . . 74.41 110.698 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -106.39 141.46 37.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.507 -0.77 . . . . 71.34 109.286 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -127.71 146.3 50.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.956 -0.298 . . . . 75.41 110.669 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -81.56 152.13 27.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.057 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -84.3 111.17 19.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.153 -0.476 . . . . 53.51 110.618 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.311 -0.852 . . . . 73.21 109.957 176.364 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.866 0.365 . . . . 74.13 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.56 171.12 8.75 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.352 -0.61 . . . . 73.22 109.352 173.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -96.13 96.92 9.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.129 -0.693 . . . . 65.41 109.129 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -101.25 140.1 36.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.112 -0.495 . . . . 73.44 110.551 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.05 170.29 13.75 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 111.171 -0.772 . . . . 35.33 111.171 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.0 76.98 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.42 0.629 . . . . 52.31 110.464 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -76.74 -53.5 7.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.404 -0.816 . . . . 75.01 110.949 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m 55.85 94.75 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.606 0.566 . . . . 61.13 111.735 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.87 -39.59 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.895 -0.593 . . . . 75.0 110.794 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.51 -42.7 92.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.689 -0.687 . . . . 74.32 111.24 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -63.32 -40.44 97.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.93 0.395 . . . . 73.25 111.242 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 48' ' ' ILE . 61.3 mt -71.55 -32.37 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 72.31 110.646 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.07 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.289 0.566 . . . . 74.13 110.742 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 28.9 ttt-85 -70.86 -26.43 63.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.399 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -55.12 -52.37 63.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.822 -0.626 . . . . 73.14 111.846 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' HE1' HG12 ' A' ' 82' ' ' ILE . 48.9 p-90 -78.75 -24.67 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.633 -0.427 . . . . 72.12 110.812 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 2.5 t-80 -51.11 -28.56 10.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.201 0.6 . . . . 70.34 111.984 174.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.01 -27.31 68.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.815 0.672 . . . . 63.53 112.815 -174.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 p -92.46 21.6 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.387 0.514 . . . . 70.24 112.387 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -82.83 177.08 8.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.859 0.361 . . . . 61.13 110.908 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' HG3' ' A' ' 22' ' ' ARG . 15.4 ptpt -56.92 -56.34 22.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.691 0.626 . . . . 75.34 112.691 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' A' ' 22' ' ' ARG . 4.8 ppt_? -154.75 129.35 9.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.279 0.561 . . . . 72.33 110.572 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -72.28 97.96 2.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 75.22 111.496 -172.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 p -101.57 38.89 1.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.63 -0.714 . . . . 62.11 110.098 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 3.5 tp10 -58.88 -29.83 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 62.34 111.723 -172.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -55.06 -51.63 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.155 0.502 . . . . 64.13 110.502 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -75.48 -28.21 59.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.774 -0.648 . . . . 72.45 110.687 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -65.33 -24.31 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 74.45 111.298 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -60.61 -38.25 84.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 75.35 110.129 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 30' ' ' ARG . 14.6 mmt180 -68.39 -34.73 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.517 0.675 . . . . 75.51 109.996 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.56 -21.68 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.987 -1.006 . . . . 64.25 111.015 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.99 -34.05 67.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.574 -0.285 . . . . 70.44 111.282 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -58.9 -43.4 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 74.04 110.307 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' O ' ' HD1' ' A' ' 38' ' ' TYR . 68.4 t80 -75.47 -45.75 36.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.208 -0.906 . . . . 74.33 109.867 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' HG22 ' A' ' 39' ' ' ILE . 10.2 tt -53.75 -48.75 69.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.498 -0.773 . . . . 75.14 111.659 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -52.39 -47.65 66.1 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.235 0.458 . . . . 65.02 112.235 -174.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.84 -2.63 55.21 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.175 0.435 . . . . 55.53 112.175 -173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' HD1' ' O ' ' A' ' 34' ' ' TYR . 72.4 m-85 -120.11 5.45 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 74.32 111.315 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 35' ' ' LEU . 7.7 tp -112.69 -43.59 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.638 -0.255 . . . . 75.11 111.014 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.618 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 1.1 p90 -147.43 71.07 11.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.553 . . . . 74.42 111.77 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -73.25 -55.14 0.1 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.595 2.197 . . . . 62.55 112.506 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -95.97 -40.62 9.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 73.52 110.872 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 43' ' ' ILE . 2.5 pp -92.9 12.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.001 -0.545 . . . . 72.45 112.14 -173.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.618 ' CA ' ' HB2' ' A' ' 40' ' ' PHE . . . -71.87 -17.39 76.85 Favored Glycine 0 CA--C 1.516 0.116 0 C-N-CA 120.782 -0.723 . . . . 73.45 112.969 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.3 m -90.47 15.33 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.105 0.479 . . . . 75.25 111.186 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 m -99.22 158.53 15.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 53.25 110.59 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -88.65 137.83 31.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.402 -0.592 . . . . 74.1 109.402 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 12' ' ' ILE . 15.9 tt -62.37 -22.03 28.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 112.196 0.443 . . . . 74.31 112.196 -174.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.988 ' HA ' HG22 ' A' ' 92' ' ' ILE . 37.2 ttt180 -75.96 -6.24 50.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.003 0.43 . . . . 74.32 110.416 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -127.76 74.27 1.52 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.758 0.79 . . . . 74.55 110.566 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.86 158.88 16.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 61.3 109.927 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -128.68 177.39 7.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.913 0.387 . . . . 74.05 111.466 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -66.62 -160.34 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.393 -0.821 . . . . 73.45 111.765 179.286 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.57 ' H ' HG22 ' A' ' 53' ' ' THR . 4.0 m -56.57 5.72 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.481 1.289 . . . . 74.53 114.481 -173.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -62.26 -28.54 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.17 -0.678 . . . . 73.42 109.17 172.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.722 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -63.91 -15.4 58.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.855 -1.066 . . . . 72.41 111.326 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.75 -18.74 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.987 0.366 . . . . 71.22 111.987 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -56.39 -56.0 36.47 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.57 0.582 . . . . 72.32 112.57 -177.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD2' ' O ' ' A' ' 56' ' ' LEU . 50.2 Cg_exo -56.59 -37.39 97.64 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.109 1.872 . . . . 75.13 112.834 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.837 HG23 ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp -64.91 -25.53 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 70.25 110.269 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.654 ' HD3' ' OD1' ' A' ' 64' ' ' ASP . 17.7 mmtt -68.14 -24.66 65.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 73.23 111.531 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.92 -49.17 68.94 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.698 -0.853 . . . . 71.21 108.698 173.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.7 t -68.11 -46.23 81.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.505 -0.771 . . . . 72.11 112.062 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.654 ' OD1' ' HD3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -66.45 -40.8 89.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.644 0.259 . . . . 75.1 110.645 -175.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 m -78.3 -17.58 56.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.631 . . . . 50.5 110.571 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -72.31 -20.31 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 72.41 109.585 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.89 -22.31 4.86 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.694 -0.685 . . . . 44.21 112.172 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . 5.2 mtmt -91.93 48.95 1.48 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.145 0.497 . . . . 62.24 110.969 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 1.9 p-80 -65.79 -29.77 70.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 64.31 111.666 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.63 -38.43 67.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.299 0.571 . . . . 75.13 109.85 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 68' ' ' LYS . 47.3 t -67.95 -49.5 67.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.472 -0.786 . . . . 53.42 110.354 177.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.837 ' HB1' HG23 ' A' ' 60' ' ' ILE . . . -57.73 -36.41 72.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 72.03 111.324 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -57.25 -47.01 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.31 0.576 . . . . 73.4 110.241 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.21 -39.82 76.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.998 -1.001 . . . . 73.31 112.365 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.3 mm? -60.16 -37.27 79.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.632 0.253 . . . . 75.23 111.302 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.403 HE22 ' HA3' ' A' ' 102' ' ' GLY . 14.0 mt-30 -63.44 -43.66 96.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.872 0.844 . . . . 60.42 109.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.28 -30.05 70.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.403 -1.272 . . . . 75.11 111.18 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -83.36 -39.11 21.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.45 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.4 p -68.66 -34.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 121.058 -0.257 . . . . 41.1 111.531 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -65.18 -30.67 71.59 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.024 0.44 . . . . 74.31 110.374 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.7 77.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.307 -0.406 . . . . 72.44 110.114 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.793 HG12 ' HE1' ' A' ' 16' ' ' TRP . 62.6 mt -61.21 -44.65 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 72.22 110.281 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.549 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.9 mmt -60.74 -44.22 96.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 71.53 110.251 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -52.1 -49.53 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.84 -0.618 . . . . 72.52 111.439 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -68.0 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 74.14 111.361 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.54 69.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.523 -0.308 . . . . 41.11 110.962 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 83' ' ' MET . 80.7 t -66.72 -36.86 78.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.355 . . . . 55.34 110.642 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.32 -35.41 65.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 72.23 111.722 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -93.25 2.22 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.416 -0.356 . . . . 71.1 111.825 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 60.56 22.84 12.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.846 0.458 . . . . 64.34 110.452 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.434 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 58.0 t80 -71.42 -40.82 70.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 65.11 111.203 -172.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.988 HG22 ' HA ' ' A' ' 49' ' ' ARG . 7.7 pt -92.49 -87.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.423 0.527 . . . . 75.25 112.423 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.85 ' H ' HG13 ' A' ' 92' ' ' ILE . 15.0 t70 174.58 -77.41 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.087 0.47 . . . . 74.22 109.797 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 5.4 p -98.49 -176.49 3.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.745 -0.661 . . . . 63.25 109.927 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.97 87.58 19.2 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.993 0.425 . . . . 74.4 110.275 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 94' ' ' SER . 3.6 Cg_exo -75.79 -175.54 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.007 2.471 . . . . 60.42 112.283 -177.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.87 11.14 3.09 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.142 -0.935 . . . . 54.44 112.109 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 p -76.7 -57.56 3.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 72.42 111.377 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.93 11.34 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.738 0.78 . . . . 53.25 109.891 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt -82.89 88.76 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.588 -0.733 . . . . 73.02 110.183 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.07 126.81 46.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.383 -0.826 . . . . 51.33 110.519 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.403 ' HA3' HE22 ' A' ' 76' ' ' GLN . . . -83.06 120.2 5.09 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.906 -0.664 . . . . 71.22 111.859 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.43 92.25 5.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.918 0.39 . . . . 72.1 110.39 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.2 mt -66.07 -57.84 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.703 -0.68 . . . . 71.01 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 t -129.5 10.67 5.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 61.42 109.314 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -73.19 99.77 2.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 74.31 110.597 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 p -105.5 159.04 16.24 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.277 -0.874 . . . . 71.11 110.465 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -121.05 -172.78 2.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.47 0.652 . . . . 74.3 110.82 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -139.47 12.78 2.55 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.514 -1.221 . . . . 63.33 108.349 172.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -115.22 105.57 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.474 -1.239 . . . . 65.24 109.719 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -123.55 86.4 2.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.852 -0.796 . . . . 71.41 108.852 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -149.43 96.09 3.69 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.444 -0.798 . . . . 73.44 109.59 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.65 178.02 3.98 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.615 2.21 . . . . 71.52 111.697 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.77 -45.57 4.55 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.694 -0.854 . . . . 73.13 108.694 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 49.33 60.62 3.64 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.017 -0.992 . . . . 61.45 110.844 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -124.76 92.94 3.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.044 -0.98 . . . . 72.43 108.645 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -55.67 116.04 2.69 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.517 0.511 . . . . 73.23 111.22 -175.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -62.17 142.17 57.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 74.44 110.802 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -72.48 118.03 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.959 -0.564 . . . . 73.53 110.431 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -72.56 140.44 48.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.306 -0.861 . . . . 74.03 110.252 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.227 -0.892 . . . . 62.24 109.527 175.551 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 25.3 mmt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.848 -0.427 . . . . 75.34 109.848 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.1 mp0 66.64 16.79 10.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.473 0.654 . . . . 72.03 110.564 -175.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -78.87 67.77 4.67 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.084 -0.962 . . . . 51.13 110.874 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -136.32 36.66 2.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.06 -0.973 . . . . 71.14 109.13 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.86 -94.45 0.63 Allowed Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.986 -1.007 . . . . 42.33 110.77 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.74 63.69 2.14 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.188 0.518 . . . . 64.43 111.537 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.99 36.05 0.17 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.687 -0.688 . . . . 70.14 112.063 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 m -72.87 160.32 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 75.44 110.455 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.8 ' HA ' ' HB ' ' A' ' 48' ' ' ILE . 77.7 t80 -52.72 -46.43 67.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.395 0.517 . . . . 75.13 112.395 -175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.65 -33.23 70.74 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.64 -0.254 . . . . 73.51 111.288 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.7 m -54.93 -47.0 75.01 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.409 0.522 . . . . 71.14 112.409 -173.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.612 ' HB ' HD13 ' A' ' 48' ' ' ILE . 42.5 mt -75.34 -32.71 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 53.32 110.666 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.721 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -67.25 -30.36 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.255 0.55 . . . . 62.12 110.37 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.96 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 32.7 ttt-85 -57.43 -28.57 63.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.396 -0.82 . . . . 74.4 111.827 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 85' ' ' TYR . 11.0 tp10 -54.41 -55.7 26.08 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.909 -0.587 . . . . 71.21 110.771 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.913 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 61.0 p-90 -79.6 -28.08 41.06 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 74.42 110.263 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.96 ' HB3' ' HA ' ' A' ' 14' ' ' ARG . 1.2 t-160 -50.21 -44.0 52.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.339 0.655 . . . . 73.3 110.911 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.12 -19.72 64.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.849 0.356 . . . . 73.41 111.53 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -112.55 17.41 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.894 0.378 . . . . 75.21 110.949 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.14 -42.94 59.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 70.34 110.73 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' HG3' ' H ' ' A' ' 22' ' ' ARG . 18.2 ptmt -144.38 -64.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.361 . . . . 62.4 111.344 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' H ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 ttp-105 -162.88 153.37 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 71.33 109.57 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -77.1 132.46 38.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.403 0.621 . . . . 71.4 111.768 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t -179.42 42.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.238 -1.393 . . . . 74.31 107.238 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG3' HH21 ' A' ' 14' ' ' ARG . 5.8 mm-40 -57.86 -23.88 55.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.329 1.603 . . . . 54.22 115.329 -164.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.16 -30.14 15.84 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.335 0.516 . . . . 73.32 111.452 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' HD2' HG21 ' A' ' 31' ' ' VAL . 30.5 p-80 -59.27 -27.64 66.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.378 -0.374 . . . . 75.5 111.955 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 2.0 ptm180 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.778 0.288 . . . . 74.51 111.778 -173.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -73.71 -31.81 63.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.286 0.565 . . . . 41.11 110.444 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.93 -40.69 46.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.624 -0.716 . . . . 75.21 110.199 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG21 ' HD2' ' A' ' 27' ' ' HIS . 61.1 t -70.09 -15.51 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 64.31 111.259 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD23 HD12 ' A' ' 35' ' ' LEU . 57.9 mt -50.57 -36.07 32.97 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.19 0.441 . . . . 72.34 112.19 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -30.39 70.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.946 0.403 . . . . 63.24 110.985 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -81.19 -41.6 22.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 53.55 109.798 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.717 HD12 HD23 ' A' ' 32' ' ' LEU . 98.4 mt -60.54 -46.68 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 65.25 111.259 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 50.3 mt-10 -55.46 -35.07 65.1 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.332 0.493 . . . . 72.21 112.332 -177.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.83 -45.51 7.28 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.606 0.595 . . . . 74.02 112.606 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -92.22 -19.18 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.977 0.418 . . . . 72.3 111.29 -172.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.619 HG22 ' CD2' ' A' ' 40' ' ' PHE . 26.4 mm -118.63 119.22 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.823 -0.806 . . . . 51.31 108.823 -175.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.871 ' HB2' HG13 ' A' ' 43' ' ' ILE . 16.0 p90 44.65 60.96 12.09 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.883 -1.053 . . . . 62.43 112.11 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.27 -47.89 11.09 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.982 2.455 . . . . 52.44 114.149 -172.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -100.19 -6.37 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 73.33 111.004 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.871 HG13 ' HB2' ' A' ' 40' ' ' PHE . 12.3 pt -114.26 15.77 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.115 -174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . -63.26 -6.62 14.85 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 116.014 -0.539 . . . . 62.33 114.211 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -91.01 -1.19 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.348 0.574 . . . . 72.04 110.578 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.8 m -92.46 120.39 32.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.026 0.441 . . . . 72.4 110.709 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.546 ' HB2' ' HE ' ' A' ' 49' ' ' ARG . 13.3 m-20 -85.08 164.35 18.26 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.528 -0.545 . . . . 70.15 109.528 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.8 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 16.4 tt -73.11 -20.1 18.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.549 . . . . 75.34 110.293 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HE ' ' HB2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -76.68 -9.35 58.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 63.32 110.565 176.232 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -143.06 70.08 1.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.509 0.671 . . . . 71.22 109.682 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 52' ' ' LYS . 5.3 tt -82.51 143.89 30.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.416 -0.811 . . . . 73.14 109.538 -178.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 51' ' ' LEU . 97.0 mttt -106.88 176.68 5.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.188 -0.46 . . . . 65.0 111.829 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.777 HG22 ' H ' ' A' ' 54' ' ' SER . 1.7 m -82.32 -163.57 0.7 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.999 -0.546 . . . . 70.22 110.504 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.777 ' H ' HG22 ' A' ' 53' ' ' THR . 2.7 p -64.03 4.79 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.299 1.222 . . . . 75.01 114.299 -171.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.22 -28.7 62.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.316 0.579 . . . . 61.52 109.454 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.761 ' HB2' HD13 ' A' ' 43' ' ' ILE . 3.7 pp -70.74 -16.26 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.385 -0.825 . . . . 74.12 111.248 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 56' ' ' LEU . 61.8 tp -80.53 -20.89 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.677 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -57.57 -51.43 81.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.081 -0.509 . . . . 71.32 112.269 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 34.4 Cg_exo -60.34 -28.39 86.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.936 1.757 . . . . 72.24 112.951 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.533 ' O ' HG12 ' A' ' 63' ' ' VAL . 45.4 mm -72.34 -23.72 21.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.441 0.639 . . . . 71.2 110.144 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 12.1 mmtt -62.83 -24.79 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.591 -0.731 . . . . 65.33 111.192 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.68 -44.75 73.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.918 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.8 p -77.01 -30.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 61.24 110.557 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.8 t70 -60.99 -49.02 79.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 73.25 109.955 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -74.09 -16.81 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 73.22 110.963 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 t -82.1 8.26 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 72.33 110.585 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . 97.98 5.69 57.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.806 -0.711 . . . . 72.23 112.853 174.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.72 ' HB3' HG12 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -120.8 69.04 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.274 0.559 . . . . 65.04 110.389 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -73.96 -23.98 59.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.731 -0.668 . . . . 74.14 110.993 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 5.5 m-20 -69.9 -50.9 37.78 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.57 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.72 HG12 ' HB3' ' A' ' 68' ' ' LYS . 11.7 p -62.85 -33.71 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 54.03 110.686 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.72 85.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.399 . . . . 64.22 110.689 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.523 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 5.0 mm-40 -72.08 -45.33 61.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.987 -0.551 . . . . 55.24 110.528 176.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 15.0 mmt180 -57.45 -36.02 70.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.901 -0.59 . . . . 72.22 111.156 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.7 mt -67.03 -55.39 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.545 -0.298 . . . . 71.34 110.854 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 11.0 pt20 -63.84 -43.95 94.65 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.993 0.368 . . . . 72.14 111.993 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -68.62 -33.61 74.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.897 0.332 . . . . 71.41 111.897 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 82' ' ' ILE . 85.0 mtm180 -71.21 -21.51 62.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.841 -0.344 . . . . 74.24 111.058 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 75' ' ' LEU . 99.4 t -61.22 -33.2 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.533 -0.303 . . . . 35.52 110.602 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 53.0 p -64.06 -38.17 90.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.661 -0.245 . . . . 52.15 110.718 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.75 76.32 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.135 0.493 . . . . 54.3 110.228 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.913 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 76.9 mt -58.96 -51.21 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.341 176.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.574 ' HE2' ' O ' ' A' ' 94' ' ' SER . 21.0 ttt -71.04 -27.01 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.939 -1.028 . . . . 74.34 111.288 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.499 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -58.34 -41.15 84.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 64.24 110.845 -175.305 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CZ ' ' HG2' ' A' ' 15' ' ' GLU . 59.0 t80 -64.59 -33.3 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.418 . . . . 72.24 110.684 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -73.34 -39.32 65.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.227 0.537 . . . . 74.04 110.491 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.5 -38.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 45.12 110.357 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.7 -40.52 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.982 -0.554 . . . . 74.12 110.717 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -85.97 5.25 34.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.378 . . . . 61.42 110.882 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.23 35.93 25.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.292 -0.867 . . . . 73.11 111.789 174.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 47.5 m-85 -64.54 -35.27 80.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 72.41 110.775 177.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.92 -34.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.25 0.463 . . . . 63.41 112.25 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.13 50.91 12.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.866 0.841 . . . . 74.11 110.709 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.574 ' O ' ' HE2' ' A' ' 83' ' ' MET . 40.2 m -153.79 149.34 27.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.311 -0.859 . . . . 71.21 109.7 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.6 85.79 16.91 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.614 0.245 . . . . 73.55 111.528 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HD2' ' HE1' ' A' ' 83' ' ' MET . 4.3 Cg_exo -80.66 -9.84 13.27 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.94 2.427 . . . . 73.13 111.906 173.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HA ' ' CG ' ' A' ' 100' ' ' MET . . . -98.44 22.6 9.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 72.1 110.471 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 t -86.15 -51.57 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 62.44 110.748 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.9 -31.9 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.649 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.733 ' HB3' ' HB3' ' A' ' 54' ' ' SER . 4.3 ppp? -66.34 -27.02 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 74.54 111.704 -176.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.82 84.73 7.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.913 0.387 . . . . 64.44 110.251 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.64 144.61 18.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.958 -0.565 . . . . 64.33 111.689 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.38 97.13 10.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.379 0.609 . . . . 53.33 111.167 -176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.54 -1.62 31.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.621 -0.718 . . . . 62.52 110.25 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -86.86 16.51 4.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.456 -0.793 . . . . 50.24 109.697 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.96 0.78 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.555 -0.748 . . . . 73.22 111.741 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.9 p -67.34 123.57 20.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 74.31 110.61 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 10.4 mmpt? 72.72 153.46 0.14 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.885 0.741 . . . . 73.24 110.594 -178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.53 -65.83 0.06 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 42.25 110.486 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -140.23 126.94 20.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.858 -0.61 . . . . 74.54 110.486 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.448 ' O ' ' HB2' ' A' ' 112' ' ' TYR . 12.9 t-80 -121.21 37.63 4.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.472 -0.936 . . . . 74.22 108.472 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 111' ' ' HIS . 86.6 m-85 71.1 140.35 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.385 0 CA-C-N 114.572 -1.195 . . . . 70.32 110.918 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 112' ' ' TYR . 22.5 Cg_exo -63.57 113.39 2.09 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.361 2.041 . . . . 44.12 111.26 176.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 115' ' ' GLU . 3.7 pp -91.12 -15.23 29.76 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.196 -0.911 . . . . 61.51 110.494 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 114' ' ' LEU . 6.9 tp10 -131.75 142.67 49.83 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.808 -0.633 . . . . 71.12 109.311 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -96.91 161.54 13.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.835 0.35 . . . . 74.52 111.018 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -126.3 161.09 28.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.517 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -99.9 92.47 5.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 74.22 111.322 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -174.05 59.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 65.0 109.166 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -176.6 146.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 73.11 110.087 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.6 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-O 118.307 -0.854 . . . . 73.51 108.896 173.482 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.876 0.369 . . . . 64.1 110.72 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -58.07 -37.92 75.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.643 . . . . 73.1 110.96 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -119.95 69.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.296 -0.631 . . . . 74.31 109.296 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.0 m -150.92 146.25 26.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.701 -0.682 . . . . 73.42 110.053 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.77 37.85 2.09 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.758 -0.734 . . . . 72.12 112.076 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.33 -72.36 0.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 65.54 111.199 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.09 13.62 6.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.398 -0.593 . . . . 74.14 109.398 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.51 ' HB ' ' OG1' ' A' ' 11' ' ' THR . 6.5 m -47.94 132.13 15.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.873 -1.058 . . . . 61.23 112.411 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -55.7 -37.94 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.519 -0.764 . . . . 72.14 111.207 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.496 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -65.48 -44.96 85.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 73.24 110.237 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.51 ' OG1' ' HB ' ' A' ' 8' ' ' THR . 4.9 m -59.87 -43.89 94.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 42.34 110.49 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.84 -38.23 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 74.41 110.788 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -63.38 -29.13 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 65.35 111.206 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -74.22 -37.1 63.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 75.03 110.898 177.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -55.25 -57.25 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.41 111.813 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 59.3 p-90 -75.28 -28.54 59.8 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.767 -0.373 . . . . 63.43 111.062 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -67.95 -41.94 81.72 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.639 0.237 . . . . 65.33 111.639 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.46 -3.84 9.63 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.935 0.346 . . . . 64.52 111.935 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -62.01 -26.18 68.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -122.89 103.96 8.95 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.396 -0.82 . . . . 72.12 109.809 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 tptt 72.62 110.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.919 0.762 . . . . 72.12 111.252 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -151.3 -37.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.697 -0.401 . . . . 70.22 111.711 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -63.91 -20.95 66.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.393 0.516 . . . . 61.42 112.393 -172.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -81.99 71.19 9.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.994 -0.743 . . . . 62.53 108.994 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.25 -25.19 68.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.799 -1.092 . . . . 70.42 111.922 -173.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.88 -42.83 62.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.275 0.559 . . . . 60.12 110.455 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -75.88 -26.0 56.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.69 -0.686 . . . . 71.54 111.418 -177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HG22 ' A' ' 31' ' ' VAL . 25.8 ttt85 -51.73 -36.69 47.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.159 0.429 . . . . 54.44 112.159 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m -61.14 -39.9 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.336 0.588 . . . . 72.34 110.664 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -80.78 -34.5 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.8 -0.636 . . . . 73.53 110.961 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 28' ' ' ARG . 17.2 m -74.21 -15.57 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 72.4 110.273 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.45 -54.18 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.361 -0.607 . . . . 73.35 109.361 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -71.4 -31.17 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.013 0.435 . . . . 74.24 110.4 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HB3' ' HA ' ' A' ' 31' ' ' VAL . 26.1 t80 -61.11 -29.34 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.502 0.668 . . . . 74.42 110.143 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.616 HD22 ' HB ' ' A' ' 39' ' ' ILE . 3.3 tm? -60.02 -47.47 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.043 -0.98 . . . . 74.34 110.579 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 42.7 mt-10 -75.63 -29.99 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.869 -176.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.08 -18.6 36.39 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.536 0.569 . . . . 44.12 112.536 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -126.8 -59.23 1.28 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.466 0.543 . . . . 62.22 112.466 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.616 ' HB ' HD22 ' A' ' 35' ' ' LEU . 38.4 mm -67.95 -53.94 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.503 -0.317 . . . . 72.43 111.638 -170.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HD2' HD11 ' A' ' 35' ' ' LEU . 43.6 m-85 -124.43 74.9 61.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 120.87 -0.332 . . . . 65.41 110.45 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 43.6 Cg_endo -72.2 -55.46 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.104 1.869 . . . . 72.43 112.688 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -104.53 -15.47 15.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.871 0.323 . . . . 74.14 111.871 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -104.36 12.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.823 0.305 . . . . 74.04 111.823 -174.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.14 7.46 44.54 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.909 -0.663 . . . . 34.51 112.806 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -99.99 -3.24 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.84 0.352 . . . . 74.13 110.813 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -91.18 132.79 35.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.042 0.448 . . . . 71.33 111.37 -176.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -79.74 152.52 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.755 -0.831 . . . . 71.03 108.755 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.83 -29.05 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.782 0.325 . . . . 61.54 111.551 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 5.4 ppt_? -83.75 2.37 38.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.815 0.341 . . . . 70.54 111.194 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -141.02 74.27 1.45 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.703 0.763 . . . . 65.32 110.425 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.78 161.81 13.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.05 -0.977 . . . . 71.3 109.964 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.9 161.05 16.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.351 -0.386 . . . . 75.42 110.45 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -163.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 61.4 109.927 174.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.541 ' OG ' ' HA ' ' A' ' 100' ' ' MET . 4.3 m -48.83 -14.7 0.07 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.303 0.853 . . . . 72.22 113.303 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -58.59 -30.78 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.551 0.215 . . . . 64.52 111.065 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.978 HD21 ' HE3' ' A' ' 100' ' ' MET . 1.1 pt? -69.73 -15.96 63.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 71.32 110.647 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 103' ' ' ALA . 60.7 tp -77.37 -17.49 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 72.45 110.612 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -61.55 -50.61 81.8 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.564 -0.289 . . . . 73.11 111.525 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 31.9 Cg_exo -63.46 -33.59 68.34 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.846 1.697 . . . . 72.31 112.762 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.35 -23.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 75.04 110.69 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -63.86 -24.05 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 60.43 111.26 -173.738 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -55.86 -32.27 63.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.343 -0.614 . . . . 64.44 109.343 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.21 -33.49 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.753 -0.658 . . . . 72.31 111.637 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.526 ' HB2' ' CB ' ' A' ' 69' ' ' HIS . 1.7 p30 -66.41 -34.96 79.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.066 -0.653 . . . . 61.31 110.394 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -82.04 -34.27 29.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.658 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.1 m -99.48 -41.29 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.293 0.479 . . . . 75.45 112.293 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.499 ' C ' ' HE3' ' A' ' 68' ' ' LYS . . . -114.99 43.31 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.961 -0.638 . . . . 75.32 112.868 -174.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HE3' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER 66.77 110.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.71 0.767 . . . . 71.24 112.534 176.457 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 64' ' ' ASP . 15.7 p80 -62.61 -24.71 67.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 64.35 110.472 176.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.2 -45.57 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.998 -0.546 . . . . 75.13 110.127 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.82 -45.83 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 50.31 110.371 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.98 89.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.824 -0.626 . . . . 54.4 111.978 -176.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HA ' ' HG3' ' A' ' 76' ' ' GLN . 5.0 mm-40 -64.73 -49.06 72.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.814 0.34 . . . . 74.43 110.67 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.92 -31.47 70.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.174 0.511 . . . . 61.21 110.239 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 39' ' ' ILE . 5.1 tt -70.24 -51.83 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.663 -0.699 . . . . 73.32 110.505 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.481 HE21 ' HB2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -65.21 -34.25 77.93 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.761 0.282 . . . . 71.32 111.761 -176.683 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -59.06 -27.04 65.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.177 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -26.01 61.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 71.15 110.678 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.0 -32.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.514 -0.551 . . . . 74.33 109.514 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 97' ' ' ALA . 40.7 m -61.68 -32.77 72.98 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.56 -0.746 . . . . 71.45 110.419 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.38 62.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.608 . . . . 71.24 110.573 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.442 HG12 ' NE1' ' A' ' 16' ' ' TRP . 50.9 mt -63.76 -41.04 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 62.13 110.154 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -62.65 -34.53 77.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.642 . . . . 74.33 111.135 179.047 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.67 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.256 -0.646 . . . . 74.11 109.256 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -63.35 -41.82 98.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.649 . . . . 74.3 110.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.655 ' HA ' ' HD2' ' A' ' 91' ' ' TYR . . . -62.88 -36.08 82.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.891 -0.595 . . . . 51.41 111.905 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 83' ' ' MET . 72.7 t -72.1 -44.95 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.571 0.224 . . . . 75.41 110.923 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -66.43 -34.92 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 64.31 111.059 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -89.37 10.56 22.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.448 -0.342 . . . . 74.02 110.724 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 53.97 59.1 4.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.478 -0.783 . . . . 61.51 112.795 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.655 ' HD2' ' HA ' ' A' ' 86' ' ' ALA . 48.6 m-85 -99.12 -42.35 7.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.029 -0.532 . . . . 71.44 109.657 171.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.9 pt -121.86 152.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 72.32 111.071 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.04 -29.5 11.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.316 0.579 . . . . 43.13 110.105 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.655 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 39.2 m -96.61 146.27 24.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.438 -0.801 . . . . 61.03 109.886 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.04 86.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.528 -0.305 . . . . 73.01 110.297 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.655 ' HD3' ' O ' ' A' ' 94' ' ' SER . 20.8 Cg_exo -65.27 -52.53 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.61 2.207 . . . . 73.21 111.725 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 80' ' ' THR . . . -85.26 67.65 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.989 -0.551 . . . . 71.44 110.275 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.7 t -98.12 -66.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.076 -0.712 . . . . 73.15 109.076 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -126.31 86.1 2.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.839 -0.801 . . . . 74.41 108.839 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.978 ' HE3' HD21 ' A' ' 56' ' ' LEU . 22.0 ptm -100.47 19.79 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.366 -0.833 . . . . 73.4 111.555 -171.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.8 80.62 1.91 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.97 0.414 . . . . 63.35 111.277 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.46 26.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.294 -0.955 . . . . 42.51 112.993 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB3' HD23 ' A' ' 57' ' ' LEU . . . -89.94 -14.6 33.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.67 0.272 . . . . 71.22 111.433 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 105' ' ' SER . 0.4 OUTLIER -95.91 -34.43 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.457 -0.338 . . . . 71.14 111.608 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.539 ' H ' HD12 ' A' ' 104' ' ' LEU . 23.2 t 61.03 32.84 19.82 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.524 0.678 . . . . 74.43 110.332 176.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 m -76.46 -28.52 56.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.517 -0.765 . . . . 72.25 111.687 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.6 m -73.2 149.35 42.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.913 0.387 . . . . 64.22 110.995 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 8.1 tppt? -135.25 165.19 26.0 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.877 -0.601 . . . . 75.31 109.917 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.36 -58.44 2.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 54.15 110.435 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 57.72 -172.95 0.09 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.641 -0.709 . . . . 71.14 111.919 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -164.71 178.79 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 64.42 110.688 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.25 156.86 48.41 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.038 -0.528 . . . . 74.32 109.973 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.447 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . 45.0 Cg_endo -67.97 164.92 29.92 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.367 2.045 . . . . 73.44 112.008 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 29.4 tp -106.97 26.73 9.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.676 -0.693 . . . . 73.15 109.878 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 113' ' ' PRO . 43.0 mt-10 -52.33 114.09 1.25 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.969 -0.56 . . . . 65.15 110.304 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -117.88 104.57 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.845 -0.616 . . . . 71.33 110.112 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -116.84 122.5 44.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.261 0.553 . . . . 74.23 111.473 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -133.03 -170.2 2.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.406 -0.816 . . . . 63.31 109.419 172.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.5 m170 71.67 23.99 3.6 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.786 0.679 . . . . 71.22 111.413 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -158.71 170.27 22.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.288 -0.634 . . . . 73.32 109.288 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 53.2 t60 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.434 -0.793 . . . . 64.4 109.847 -178.316 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.195 0.521 . . . . 75.43 110.172 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -96.86 -31.06 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.496 -0.775 . . . . 75.22 110.971 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 m120 62.86 -173.54 0.15 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.87 -0.605 . . . . 74.12 111.289 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.4 m -143.27 176.11 9.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 34.21 110.229 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.04 141.82 12.28 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.834 -0.698 . . . . 60.15 112.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.39 138.35 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.082 -0.34 . . . . 53.41 110.082 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -155.55 25.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.947 0.351 . . . . 71.11 111.947 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 p -94.64 177.7 5.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.767 0.318 . . . . 75.54 111.293 -177.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -34.95 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.052 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -38.5 86.8 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.894 -0.594 . . . . 62.02 109.936 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 m -58.35 -36.1 72.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.91 -0.587 . . . . 74.34 111.149 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.72 -47.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.452 . . . . 74.33 110.571 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.585 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -71.29 -28.88 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 54.33 110.831 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -62.65 -39.66 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 65.31 110.366 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.67 -59.42 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.967 . . . . 75.1 112.213 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.627 ' HZ2' HG12 ' A' ' 82' ' ' ILE . 56.2 p-90 -79.62 -32.48 41.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.428 0.529 . . . . 73.02 112.428 -171.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.19 -34.96 75.71 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.326 -0.55 . . . . 64.24 111.478 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -78.44 -12.13 59.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.979 0.419 . . . . 62.34 110.837 -175.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 p -110.61 14.61 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.269 0.557 . . . . 70.13 110.034 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 6.0 t-20 -93.87 -153.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.653 -0.703 . . . . 72.52 109.875 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 20' ' ' ASN . 7.0 tmtm? -44.78 -57.69 3.56 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.541 0.736 . . . . 73.24 112.508 -173.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -147.32 143.76 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.343 -0.543 . . . . 74.43 111.705 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -55.81 137.37 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.083 -0.962 . . . . 73.4 110.483 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 m -133.78 16.05 3.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.608 -0.269 . . . . 63.54 110.978 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 8.4 pt-20 -46.42 -41.35 13.62 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.272 0.841 . . . . 65.53 113.272 -172.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 21.3 t70 -72.73 -51.89 17.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 71.21 111.12 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -70.93 -26.28 63.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.752 -0.658 . . . . 72.01 111.404 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -54.06 -34.9 61.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.243 -0.889 . . . . 73.24 111.282 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -60.55 -35.17 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.071 0.462 . . . . 71.31 111.112 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -74.09 -42.2 60.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 72.14 109.876 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 35' ' ' LEU . 47.5 t -64.93 -38.49 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.256 -0.884 . . . . 74.14 110.624 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.16 -50.04 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 64.42 110.222 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 33' ' ' ARG . 17.0 ttt85 -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.016 -0.538 . . . . 71.51 110.217 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.17 -50.35 72.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.724 -0.671 . . . . 73.01 110.812 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.549 HD23 HG12 ' A' ' 31' ' ' VAL . 4.3 pp -73.16 -36.4 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.022 0.378 . . . . 73.55 112.022 -173.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 79.4 mt-10 -71.49 -30.11 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 73.21 111.497 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 33' ' ' ARG . 8.7 mp -78.35 -46.3 20.38 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.178 -0.209 . . . . 64.12 111.515 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.68 -43.54 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.679 0.622 . . . . 64.53 112.679 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.612 ' C ' ' HD3' ' A' ' 41' ' ' PRO . 41.9 mm -91.47 -22.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.676 0.274 . . . . 71.14 111.591 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.581 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 97.3 m-85 -120.35 57.94 5.65 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.487 0.551 . . . . 63.44 112.487 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.612 ' HD3' ' C ' ' A' ' 39' ' ' ILE . 6.1 Cg_exo -79.22 -51.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.238 1.959 . . . . 72.51 111.372 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -103.21 -33.84 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 56' ' ' LEU . 38.5 pt -90.32 13.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.01 0.374 . . . . 72.11 112.01 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.8 -7.04 68.83 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.113 -0.565 . . . . 62.43 112.749 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -99.13 15.0 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.752 0.31 . . . . 73.02 110.732 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.7 m -88.32 135.17 33.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 63.41 111.228 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' OD2' ' HD3' ' A' ' 49' ' ' ARG . 17.3 t70 -88.09 155.82 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.71 -0.677 . . . . 75.15 109.597 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.8 tp -64.61 -21.66 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.975 0.417 . . . . 74.4 111.702 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HA ' ' CG2' ' A' ' 92' ' ' ILE . 7.2 mtp-105 -83.22 -0.6 50.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.574 -0.285 . . . . 70.43 111.64 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -148.91 75.98 1.32 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.745 0.783 . . . . 73.23 110.816 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HB2' ' HG2' ' A' ' 96' ' ' PRO . 2.9 mm? -87.03 161.76 17.99 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.863 -1.062 . . . . 75.24 109.06 172.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.86 ' HB2' HD23 ' A' ' 56' ' ' LEU . 12.6 mptt -115.95 176.05 5.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.291 0.567 . . . . 72.54 111.655 -173.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.7 p -85.4 -163.52 0.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.278 -0.873 . . . . 74.45 111.628 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.424 ' H ' ' HB ' ' A' ' 53' ' ' THR . 3.0 m -54.3 -18.44 4.0 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.977 1.102 . . . . 54.43 113.977 -173.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -65.33 -26.05 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.398 . . . . 73.32 111.142 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.86 HD23 ' HB2' ' A' ' 52' ' ' LYS . 4.4 pp -72.75 -16.77 61.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.923 0.392 . . . . 60.41 110.907 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 tp -86.92 -16.93 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 60.33 110.647 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -51.45 -50.52 76.08 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.799 -0.637 . . . . 62.21 112.488 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.0 Cg_exo -58.18 -38.05 92.87 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.869 1.713 . . . . 65.04 112.681 178.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.525 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.7 mp -67.71 -24.09 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.068 0.461 . . . . 73.13 110.93 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 8.6 tmtt? -57.98 -26.1 61.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.923 -0.581 . . . . 73.34 111.555 -174.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.079 0.399 . . . . 71.41 112.079 -176.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 60' ' ' ILE . 9.0 p -74.33 -31.75 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 74.32 110.451 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -66.19 -45.12 81.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.825 -0.625 . . . . 51.1 109.743 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 m -68.0 -26.6 65.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 41.31 110.94 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -72.16 -3.91 26.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.786 0.327 . . . . 70.34 111.022 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.09 -14.4 26.12 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.828 -0.701 . . . . 51.45 112.604 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.934 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -95.21 77.41 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.557 0.694 . . . . 75.31 110.635 -177.478 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -72.9 -33.83 66.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.748 -1.114 . . . . 71.43 110.231 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 16.4 t70 -56.51 -53.44 57.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.217 -0.902 . . . . 74.43 111.917 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.12 -34.49 66.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.474 -0.33 . . . . 44.22 111.739 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 76' ' ' GLN . . . -67.07 -50.54 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 65.12 110.079 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.99 -45.89 86.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.32 -0.855 . . . . 73.34 110.836 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 69.8 mtp180 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 64.15 111.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.5 mm? -71.96 -39.2 69.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.978 0.362 . . . . 62.21 111.978 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 15.2 pt20 -67.0 -38.14 85.47 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.61 -0.436 . . . . 74.2 110.658 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 6.3 tp60 -73.07 -20.72 60.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.438 0.637 . . . . 73.44 110.558 175.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.3 tpt180 -72.44 -42.31 65.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 73.31 110.209 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 75' ' ' LEU . 61.3 t -61.94 -43.53 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.804 -0.634 . . . . 75.44 111.193 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.8 p -61.52 -36.25 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 64.52 111.021 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.9 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.948 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.627 HG12 ' HZ2' ' A' ' 16' ' ' TRP . 69.2 mt -66.74 -42.43 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 64.24 110.439 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.522 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -60.21 -35.3 75.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 72.24 110.506 179.466 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -57.27 -41.53 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 71.32 111.114 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.547 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 64.7 m-85 -69.61 -29.94 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 75.52 111.328 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.51 61.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.132 0.491 . . . . 74.22 110.445 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 83' ' ' MET . 58.8 t -86.03 -34.65 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 72.04 111.264 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 85' ' ' TYR . 9.2 pt20 -59.54 -38.9 82.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.884 0.373 . . . . 73.43 111.056 -178.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 83.9 m-20 -88.8 -2.83 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 61.42 110.62 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 57.99 79.2 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.614 0.721 . . . . 72.14 111.266 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' A' ' 89' ' ' ASN . 63.6 m-85 -106.66 -28.87 9.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.721 . . . . 73.11 110.233 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 49' ' ' ARG . 23.5 pt -133.61 144.23 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.705 -0.679 . . . . 73.14 110.32 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -89.75 -12.15 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 73.45 110.168 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 m -87.06 145.21 26.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 74.44 109.6 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -118.82 86.28 30.1 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.927 0.394 . . . . 61.04 110.147 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 51' ' ' LEU . 6.0 Cg_exo -77.47 -164.59 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.754 2.303 . . . . 52.52 111.078 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.762 ' HA ' ' SD ' ' A' ' 100' ' ' MET . . . 57.56 24.19 10.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.038 0.447 . . . . 74.43 111.371 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 m -97.45 143.59 28.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 73.23 110.253 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.38 20.86 11.87 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.924 0.765 . . . . 55.01 110.662 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.762 ' SD ' ' HA ' ' A' ' 97' ' ' ALA . 81.2 mtp -97.43 -44.49 6.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.771 -0.65 . . . . 74.35 109.405 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.53 60.11 6.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.597 -0.729 . . . . 64.42 109.921 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.33 -132.99 1.45 Allowed Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.32 -0.855 . . . . 63.44 111.384 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 63.81 -77.19 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.243 0.617 . . . . 63.32 111.993 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.76 ' H ' HD23 ' A' ' 104' ' ' LEU . 1.5 pt? -84.42 11.16 9.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.995 0.426 . . . . 70.44 111.189 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.4 p -85.75 8.94 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.164 -0.471 . . . . 73.13 111.039 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 p -70.7 94.4 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 71.13 111.682 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.1 p -85.83 145.24 27.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 75.21 110.395 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 108' ' ' LYS . 7.5 mmpt? -132.46 137.73 47.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.716 0.293 . . . . 64.35 110.763 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -143.63 -76.71 0.24 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.58 . . . . 72.41 109.8 173.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 59.11 163.42 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.729 0.812 . . . . 73.13 112.484 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.5 m80 67.5 96.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.617 -0.72 . . . . 71.54 112.761 173.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -155.97 108.51 2.12 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.109 -0.951 . . . . 72.1 109.898 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -81.93 108.17 1.81 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 122.391 2.06 . . . . 74.32 110.918 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.1 tp -73.69 -53.2 10.94 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.096 -0.705 . . . . 62.24 109.096 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 55.82 23.28 6.29 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.233 -0.894 . . . . 72.32 111.437 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -98.19 95.93 7.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.342 -0.614 . . . . 62.04 109.342 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -128.47 95.78 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.357 0.598 . . . . 50.41 110.974 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -141.6 102.28 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 53.12 109.668 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -131.83 138.56 48.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.638 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -164.09 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.118 -0.492 . . . . 62.14 110.589 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 78.2 t60 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.407 -0.806 . . . . 71.41 109.171 -178.131 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.462 -0.57 . . . . 73.21 109.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.01 -23.28 23.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.752 -0.658 . . . . 74.24 110.958 -172.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -90.54 101.97 14.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.967 -0.561 . . . . 53.11 110.495 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.2 m -154.59 11.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.83 -0.623 . . . . 64.44 110.387 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.19 -171.7 20.97 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.603 -0.808 . . . . 35.53 111.945 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.02 2.62 15.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.732 0.301 . . . . 53.53 111.387 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -90.07 10.02 25.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.207 0.527 . . . . 74.41 110.817 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -65.58 153.14 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 33.1 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.636 ' HZ ' HD13 ' A' ' 82' ' ' ILE . 30.2 t80 -51.85 -39.38 58.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.934 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.671 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 6.6 mm-40 -51.91 -40.85 61.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.245 -0.889 . . . . 71.14 112.096 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -57.66 -49.83 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.403 . . . . 73.2 111.551 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 HD12 HD13 ' A' ' 48' ' ' ILE . 58.9 mt -75.64 -31.56 23.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 62.53 110.76 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.33 82.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 62.12 111.472 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.671 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 9.5 mpt_? -68.32 -26.35 65.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.393 -0.367 . . . . 74.2 111.706 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.66 -56.2 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.276 0.36 . . . . 74.23 110.677 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.433 ' CZ2' HG12 ' A' ' 82' ' ' ILE . 64.7 p-90 -82.13 -36.42 27.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.244 0.461 . . . . 72.02 112.244 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -63.68 -27.73 69.42 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.109 0.781 . . . . 54.42 113.109 -172.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 57.8 mt-10 -76.18 5.1 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.46 -0.496 . . . . 72.43 111.913 -177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -90.08 6.82 40.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.43 0.633 . . . . 64.22 109.597 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.12 25.15 1.66 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 74.52 110.439 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 70.37 -168.01 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.76 -0.654 . . . . 74.34 112.195 175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 71.35 104.37 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.325 -0.852 . . . . 74.32 110.228 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -68.2 -27.72 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 74.34 112.137 -174.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -76.23 107.39 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.024 -0.361 . . . . 44.23 110.024 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.708 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 mp0 -62.39 -27.44 69.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.547 . . . . 64.14 110.726 -174.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -51.17 -30.54 17.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.487 -0.779 . . . . 42.25 112.795 -170.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -27.28 61.91 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.322 0.489 . . . . 74.03 112.322 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -64.97 -23.5 67.24 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.677 0.251 . . . . 73.11 111.677 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 38.1 m -77.32 -37.23 52.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.029 0.442 . . . . 51.12 110.693 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -80.26 -38.94 29.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.111 0.411 . . . . 63.53 112.111 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 28' ' ' ARG . 35.0 m -63.18 -16.99 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 121.0 -0.28 . . . . 73.43 111.122 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' OE2' ' A' ' 10' ' ' GLU . 7.4 tt -57.4 -39.76 76.8 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.117 0.484 . . . . 71.15 109.888 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -59.32 -39.94 84.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 73.13 110.409 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -83.27 -38.77 21.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 72.44 110.081 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HG ' ' CG1' ' A' ' 39' ' ' ILE . 10.4 tt -60.29 -35.91 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.856 -0.611 . . . . 64.35 111.072 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -33.31 50.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.895 -0.593 . . . . 73.22 110.9 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.43 -27.04 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 75.1 111.438 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.92 -40.35 47.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.975 -0.557 . . . . 73.25 111.682 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.41 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 49.5 mm -95.89 -35.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.957 0.408 . . . . 65.02 110.588 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -119.8 82.49 27.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.403 -0.362 . . . . 72.24 110.596 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.63 -60.12 0.08 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 121.278 1.318 . . . . 41.25 111.574 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -109.2 -17.54 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.413 . . . . 45.31 111.002 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 56' ' ' LEU . 38.4 pt -88.59 14.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.612 0.597 . . . . 43.33 112.612 -169.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.31 5.45 9.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.889 -0.672 . . . . 42.44 113.316 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 p -106.18 5.92 30.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.076 0.438 . . . . 54.25 111.247 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -97.53 145.01 26.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.004 0.431 . . . . 65.33 110.932 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 149.28 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.57 . . . . 72.11 111.094 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.521 ' HB ' ' HD2' ' A' ' 9' ' ' PHE . 13.9 tt -77.52 -23.83 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.389 0.614 . . . . 71.31 110.152 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -78.25 -3.5 43.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.513 -0.767 . . . . 60.34 110.731 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -162.38 82.66 0.54 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.317 -0.624 . . . . 72.35 109.317 172.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.526 ' H ' HG22 ' A' ' 92' ' ' ILE . 14.5 tp -95.28 161.72 13.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.093 -0.503 . . . . 60.43 110.38 -176.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -111.46 174.88 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.001 -0.545 . . . . 74.2 111.966 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.478 ' HB ' ' H ' ' A' ' 54' ' ' SER . 1.0 OUTLIER -74.26 -162.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.387 -0.824 . . . . 53.24 112.56 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.478 ' H ' ' HB ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -68.06 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.274 1.212 . . . . 71.23 114.274 -170.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -67.23 -28.69 68.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 72.52 108.709 173.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HD2' ' A' ' 59' ' ' PRO . 3.2 pp -68.18 -14.42 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.843 -1.071 . . . . 73.14 111.886 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.85 -27.9 65.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 -0.242 . . . . 75.42 111.613 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -55.1 -54.14 53.65 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.138 0.421 . . . . 72.11 112.138 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 37.5 Cg_exo -61.43 -32.6 88.94 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.062 1.842 . . . . 72.42 112.835 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mm -71.05 -32.03 46.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 72.33 109.951 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.571 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.79 -25.21 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.729 -0.669 . . . . 73.23 110.012 -176.823 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.08 -28.49 62.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.337 -0.847 . . . . 73.41 110.042 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.55 -36.42 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.733 -0.667 . . . . 73.44 111.646 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.94 -36.83 72.76 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.495 -0.482 . . . . 62.14 110.978 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 m -82.28 -44.45 16.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.207 -0.452 . . . . 64.34 112.117 -175.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.7 m -107.14 7.2 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.205 0.446 . . . . 34.41 112.205 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -138.89 4.0 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.783 -0.722 . . . . 53.13 111.777 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HB2' HG12 ' A' ' 71' ' ' VAL . 46.3 mtpt -90.51 113.26 25.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.829 0.347 . . . . 62.13 110.328 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -59.6 -33.31 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.829 -0.623 . . . . 75.43 112.668 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.82 -44.18 42.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.86 0.362 . . . . 61.41 111.27 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.648 HG12 ' HB2' ' A' ' 68' ' ' LYS . 8.4 p -65.41 -32.75 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.715 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.96 90.9 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.594 -0.275 . . . . 53.11 111.274 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mm-40 -62.42 -44.13 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.404 0.621 . . . . 74.44 110.877 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 38.5 mtp180 -65.22 -32.29 73.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.431 -0.804 . . . . 73.4 110.624 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 3.0 tm? -69.37 -51.48 36.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.053 -0.521 . . . . 73.32 110.76 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 73' ' ' GLN . 3.4 pt20 -63.88 -39.03 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 74.31 111.471 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -59.83 -28.93 67.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 73.24 111.199 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.559 ' O ' HG13 ' A' ' 82' ' ' ILE . 61.3 mtt180 -61.31 -36.04 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.211 -0.45 . . . . 75.25 111.046 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.62 -41.74 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.111 0.482 . . . . 65.44 110.598 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 m -65.28 -30.45 71.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 73.13 110.648 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 84' ' ' ARG . . . -74.15 -24.73 59.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 53.22 111.081 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.636 HD13 ' HZ ' ' A' ' 9' ' ' PHE . 67.4 mt -75.18 -36.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 73.33 110.6 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.517 ' SD ' ' HD2' ' A' ' 96' ' ' PRO . 24.8 mmt -57.72 -39.46 77.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.489 -0.778 . . . . 70.33 112.821 -173.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 16.6 ptm180 -57.64 -39.72 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.542 0.21 . . . . 72.01 111.42 -177.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -77.62 -30.45 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 74.11 110.773 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.79 73.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.955 0.407 . . . . 73.43 110.505 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.881 HG21 HD22 ' A' ' 95' ' ' ASN . 63.3 t -69.92 -14.82 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.902 -0.59 . . . . 74.32 111.547 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 14.7 mm100 -54.26 -40.53 67.89 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.853 0.359 . . . . 75.23 110.656 175.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.405 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 72.3 m-20 -105.23 -16.73 14.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.021 -0.733 . . . . 73.12 109.021 171.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.564 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 44.9 t0 57.9 90.97 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.489 -1.232 . . . . 63.22 112.415 177.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 89' ' ' ASN . 79.0 m-85 -101.93 -10.41 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 52.14 110.072 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -99.88 -33.06 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.958 -0.564 . . . . 63.22 111.929 -173.422 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 63.3 26.69 15.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.401 0.619 . . . . 75.12 111.133 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -152.51 -14.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.709 0.633 . . . . 75.55 112.709 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.881 HD22 HG21 ' A' ' 87' ' ' VAL . 16.1 t-20 47.64 76.6 0.53 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.575 0.35 . . . . 71.41 111.297 -171.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.745 ' HD3' HG13 ' A' ' 92' ' ' ILE . 2.9 Cg_exo -76.51 -171.23 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.795 2.33 . . . . 61.2 112.002 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 64.94 3.18 2.0 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.67 -0.696 . . . . 62.43 111.478 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.6 p -77.31 -64.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.437 -0.579 . . . . 62.01 109.437 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.46 79.58 8.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.614 -0.884 . . . . 71.23 108.614 172.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -155.72 -52.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 71.31 108.963 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.74 156.93 32.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 71.41 108.949 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.39 -139.34 2.75 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 34.32 112.636 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.34 97.04 9.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.822 0.344 . . . . 64.12 110.55 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.32 -69.13 0.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.306 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -140.66 41.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.038 0.446 . . . . 75.24 110.655 -173.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 p -82.91 91.04 7.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 74.43 111.158 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 m -149.23 155.07 40.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.504 . . . . 74.52 110.017 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -150.74 175.27 12.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.057 -0.349 . . . . 73.45 110.057 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -160.61 29.09 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.934 -0.576 . . . . 64.34 110.6 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -51.72 123.63 10.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.517 -0.765 . . . . 75.34 111.9 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -147.52 95.64 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 71.04 110.963 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -161.06 103.76 1.26 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 73.22 109.592 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.58 -79.21 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.915 2.41 . . . . 73.21 112.184 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.5 tp -142.49 -41.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.826 -0.435 . . . . 71.25 109.826 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 70.53 -70.29 0.16 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.977 -1.011 . . . . 72.44 111.773 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -68.71 112.7 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.165 0.507 . . . . 61.32 110.667 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -126.17 106.46 9.58 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.531 -0.759 . . . . 72.34 109.514 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -141.25 134.75 29.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.93 -0.577 . . . . 64.25 109.524 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -111.24 120.33 41.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.987 0.423 . . . . 74.25 111.424 -176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -104.11 169.12 8.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.607 . . . . 74.15 109.559 173.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.727 -0.654 . . . . 73.41 109.527 175.577 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtm . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.959 -0.385 . . . . 74.11 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -87.98 149.87 23.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 75.2 111.037 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.39 99.38 3.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.68 -0.691 . . . . 73.44 109.495 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -95.09 101.75 13.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.37 -65.32 2.02 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.656 -0.978 . . . . 51.14 110.656 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 47.78 59.97 3.84 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.291 0.636 . . . . 51.21 112.277 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.868 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 21.6 p90 -73.41 97.08 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.198 0.999 . . . . 70.55 109.387 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -139.56 151.23 45.92 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.859 -1.064 . . . . 73.1 109.871 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -55.11 -42.39 72.88 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.377 0.423 . . . . 62.15 110.24 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.38 -38.6 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.815 -0.629 . . . . 75.14 111.451 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -63.07 -43.63 98.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.139 0.495 . . . . 72.05 110.585 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.96 -43.49 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.657 . . . . 73.11 110.438 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HA ' ' NE1' ' A' ' 16' ' ' TRP . . . -64.95 -33.86 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.789 -0.641 . . . . 74.14 110.949 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -34.23 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 72.2 110.752 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.27 -59.02 5.97 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.088 -0.506 . . . . 62.04 111.527 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' NE1' ' HA ' ' A' ' 13' ' ' ALA . 50.5 p-90 -79.25 -24.39 43.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.728 -0.389 . . . . 71.54 110.843 -176.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -59.71 -31.03 69.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.503 -0.317 . . . . 71.41 111.166 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.16 -21.61 63.05 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.649 0.261 . . . . 74.1 111.046 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -60.92 -34.06 74.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.613 -0.267 . . . . 73.41 110.45 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 59.14 -162.12 0.25 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.856 0.687 . . . . 72.12 112.856 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HB3' ' H ' ' A' ' 22' ' ' ARG . 9.6 tptp -145.44 -85.74 0.12 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.497 -0.774 . . . . 75.22 109.399 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 14.3 ttt-85 -106.51 178.89 4.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.25 -1.341 . . . . 72.31 108.784 174.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.404 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 5.5 m-90 -75.62 107.67 7.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.009 0.433 . . . . 75.14 111.434 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.434 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 70.7 m -157.01 33.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.209 -0.663 . . . . 72.32 109.209 175.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 3.6 tp10 -53.37 -49.67 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 74.31 112.696 -170.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.36 -31.05 68.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.114 0.483 . . . . 72.44 110.238 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -75.54 -24.12 56.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.281 -0.872 . . . . 64.31 111.12 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 1.4 mpt_? -49.52 -32.6 12.7 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.024 0.75 . . . . 74.52 113.024 -177.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -61.85 -44.24 97.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 64.53 110.503 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -61.32 -38.69 87.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.057 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.67 -39.09 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.55 -0.75 . . . . 72.11 110.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.76 -40.72 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.956 -0.566 . . . . 71.34 109.682 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.5 mtt180 -65.98 -43.91 86.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.601 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.43 -40.56 87.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 62.34 110.606 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.828 ' HA ' HD13 ' A' ' 39' ' ' ILE . 3.4 tt -61.64 -42.13 98.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.775 -0.648 . . . . 54.32 109.645 178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 4.3 tm-20 -65.98 -37.65 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.846 -0.615 . . . . 74.21 110.371 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 33' ' ' ARG . 92.9 mt -71.71 -48.49 46.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.509 0.559 . . . . 73.22 112.509 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -98.87 -38.4 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.581 . . . . 65.14 112.57 -171.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.828 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.9 mp -83.73 -30.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 72.53 110.259 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.542 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . 31.0 m-85 -116.77 56.38 1.57 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.596 174.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.81 -57.14 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.339 1.359 . . . . 73.24 112.661 -169.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -106.18 -22.64 12.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.488 -0.324 . . . . 70.42 111.057 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' HB ' HD11 ' A' ' 56' ' ' LEU . 2.6 pp -107.39 14.65 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.068 0.766 . . . . 74.44 113.068 -167.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.542 ' CA ' ' HB3' ' A' ' 40' ' ' PHE . . . -73.04 5.88 16.43 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.004 -0.617 . . . . 71.15 113.208 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.7 p -82.21 -11.31 58.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 65.51 111.347 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.5 m -92.63 132.55 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.211 0.529 . . . . 61.44 111.885 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.94 165.87 11.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 73.2 109.227 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD23 ' A' ' 51' ' ' LEU . 10.4 tp -60.76 -28.96 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.709 0.262 . . . . 74.24 111.709 -176.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.868 ' HD3' ' HE2' ' A' ' 7' ' ' TYR . 34.1 ttp180 -70.48 -21.63 62.75 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.011 0.434 . . . . 75.21 110.588 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -133.15 74.7 1.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.419 0.628 . . . . 64.24 109.831 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -97.06 140.17 31.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.405 -0.816 . . . . 74.21 110.053 -176.673 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.23 173.17 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.075 0.464 . . . . 35.33 111.088 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.604 HG22 ' H ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -92.6 -162.48 0.94 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.718 -0.674 . . . . 55.31 109.836 -178.696 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.604 ' H ' HG22 ' A' ' 53' ' ' THR . 6.2 m -56.96 -7.8 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.992 0.738 . . . . 74.05 112.992 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -67.1 -27.65 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 62.41 109.568 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD11 ' HB ' ' A' ' 43' ' ' ILE . 17.6 tp -66.06 -20.31 66.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.016 -0.993 . . . . 44.32 110.76 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.495 HD12 ' HB ' ' A' ' 60' ' ' ILE . 68.5 tp -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 70.11 111.429 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.634 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . . . -50.43 -52.4 55.4 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.922 0.712 . . . . 72.34 112.922 -176.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 58' ' ' ALA . 32.2 Cg_exo -61.82 -38.98 55.58 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.875 1.716 . . . . 73.1 112.969 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.58 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.2 mp -72.39 -24.65 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.159 0.504 . . . . 63.03 110.298 -176.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -68.99 -24.42 64.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 64.31 109.602 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.95 -39.67 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 74.32 111.614 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 60' ' ' ILE . 8.3 p -71.49 -29.06 33.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.683 0.278 . . . . 51.22 110.688 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.54 -49.53 74.96 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.102 0.477 . . . . 63.42 109.793 175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -65.26 -33.92 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 43.41 110.686 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -62.7 -40.36 96.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.169 -0.468 . . . . 64.33 110.53 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.62 -30.42 0.93 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.083 -1.056 . . . . 55.31 113.481 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.0 mtpt -96.42 82.72 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 61.45 111.282 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -73.8 -30.01 62.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.143 -0.935 . . . . 74.51 110.467 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 21.1 t70 -56.76 -47.68 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 73.32 111.695 -175.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' HD13 ' A' ' 75' ' ' LEU . 52.6 t -59.59 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.456 . . . . 53.5 110.91 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.06 -45.14 79.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.106 -0.497 . . . . 71.14 111.517 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -62.83 -46.65 86.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.055 -0.521 . . . . 64.21 111.268 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -60.28 -32.76 71.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 64.43 111.609 178.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 79' ' ' VAL . 6.7 mp -63.72 -47.68 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.736 -0.211 . . . . 72.51 111.193 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -56.28 -43.69 79.09 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.578 0.704 . . . . 75.0 109.977 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.55 -39.74 73.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.186 -1.37 . . . . 73.4 111.112 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.45 ' O ' HG13 ' A' ' 82' ' ' ILE . 64.5 mtt180 -82.46 -23.58 34.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 74.35 111.61 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 75' ' ' LEU . 86.4 t -66.35 -45.97 88.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 62.41 110.386 176.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 t -69.55 -29.96 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 73.4 110.019 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.26 -31.92 73.2 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.045 -0.525 . . . . 53.33 110.479 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 78' ' ' ARG . 85.7 mt -76.24 -44.78 36.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 41.31 110.359 173.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.657 ' HG3' HD11 ' A' ' 92' ' ' ILE . 47.6 ttm -60.13 -35.94 76.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 74.44 112.404 -175.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.15 -31.24 70.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.415 0.15 . . . . 74.34 111.33 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -69.19 -40.77 77.88 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.086 0.47 . . . . 72.24 110.19 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 73.45 110.505 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.62 -33.6 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.077 -0.511 . . . . 64.14 110.492 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -63.97 -43.68 95.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.733 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -87.11 6.03 34.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.519 -0.31 . . . . 71.33 111.197 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.36 35.85 14.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.485 0.66 . . . . 42.51 110.987 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -76.3 -45.59 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.3 -0.629 . . . . 75.32 109.3 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.657 HD11 ' HG3' ' A' ' 83' ' ' MET . 37.8 pt -130.55 148.82 33.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.521 -0.763 . . . . 71.14 109.952 177.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -112.88 -22.89 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.242 0.544 . . . . 74.11 110.186 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.464 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 18.7 m -92.11 138.25 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 71.15 110.537 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.412 ' HB3' ' OG ' ' A' ' 98' ' ' SER . 16.9 m120 -115.78 85.26 14.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.465 -0.334 . . . . 73.31 110.418 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 94' ' ' SER . 6.1 Cg_exo -79.0 -35.39 0.94 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.797 2.331 . . . . 41.44 112.878 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.07 -2.31 43.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.34 -0.391 . . . . 24.24 111.741 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.412 ' OG ' ' HB3' ' A' ' 95' ' ' ASN . 50.0 m -74.4 -10.0 59.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.897 0.38 . . . . 61.53 111.334 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -100.89 -4.14 28.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.049 0.452 . . . . 62.41 110.57 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.577 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 80.2 mtp -62.57 -39.19 92.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.972 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.05 10.27 17.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 64.14 111.039 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.29 -59.21 3.4 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.831 -0.699 . . . . 42.45 111.704 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.58 115.75 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 72.15 110.538 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.619 ' H ' HD23 ' A' ' 104' ' ' LEU . 1.7 pt? -115.11 -7.8 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.104 0.478 . . . . 72.33 110.301 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 m -93.37 3.27 55.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.803 -0.635 . . . . 73.0 110.525 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 p -77.06 99.16 5.23 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.418 0.627 . . . . 73.32 111.071 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 77.7 p -110.5 -173.5 2.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.27 -0.877 . . . . 72.53 110.256 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.623 ' HE3' ' N ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER 78.35 144.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.554 0.741 . . . . 65.43 111.8 178.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -178.04 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.716 -1.129 . . . . 51.21 110.243 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -115.63 164.57 14.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.679 -0.692 . . . . 73.11 110.542 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -114.79 -172.1 2.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 63.42 109.214 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -73.61 141.83 80.03 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.109 -0.237 . . . . 73.15 110.504 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -47.68 144.55 10.74 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.786 2.991 . . . . 33.03 113.377 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.674 ' H ' HD23 ' A' ' 114' ' ' LEU . 2.1 pt? -66.41 -33.46 75.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.917 -1.038 . . . . 72.12 110.882 -176.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.25 134.59 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.788 -0.449 . . . . 74.42 109.788 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -144.28 1.45 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.864 -0.607 . . . . 54.24 109.742 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -88.18 -174.78 4.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 73.25 110.663 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -140.04 107.93 5.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.93 -0.577 . . . . 73.41 110.015 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -76.3 125.81 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 74.34 109.889 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -77.19 57.89 1.5 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.007 0.432 . . . . 71.14 111.523 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.549 -0.739 . . . . 63.31 109.563 176.441 . . . . . . . . 0 0 . 1 stop_ save_